1{
2  "K" : [
3    {
4      "valence" : [
5        {
6          "angular" : "s",
7          "prim" : [180.9008,71.21769,29.38428,8.699243],
8          "cont" : [[0.001190,-0.000503,0.002685,0.069043]]
9        }, {
10          "angular" : "s",
11          "prim" : [3.473304],
12          "cont" : [[1.000000000]]
13        }, {
14          "angular" : "s",
15          "prim" : [0.814562],
16          "cont" : [[1.000000000]]
17        }, {
18          "angular" : "s",
19          "prim" : [0.3189150],
20          "cont" : [[1.000000000]]
21        }, {
22          "angular" : "s",
23          "prim" : [0.07],
24          "cont" : [[1.000000000]]
25        }, {
26          "angular" : "s",
27          "prim" : [0.03548],
28          "cont" : [[1.000000000]]
29        }, {
30          "angular" : "s",
31          "prim" : [0.016390],
32          "cont" : [[1.000000000]]
33        }, {
34          "angular" : "s",
35          "prim" : [0.007570],
36          "cont" : [[1.000000000]]
37        }, {
38          "angular" : "p",
39          "prim" : [65.91233,24.59863,9.882281,4.116751],
40          "cont" : [[0.001316,0.002476,0.014056,-0.067812]]
41        }, {
42          "angular" : "p",
43          "prim" : [1.556004],
44          "cont" : [[1.000000000]]
45        }, {
46          "angular" : "p",
47          "prim" : [0.612188],
48          "cont" : [[1.000000000]]
49        }, {
50          "angular" : "p",
51          "prim" : [0.223053],
52          "cont" : [[1.000000000]]
53        }, {
54          "angular" : "p",
55          "prim" : [0.08126],
56          "cont" : [[1.000000000]]
57        }, {
58          "angular" : "p",
59          "prim" : [0.02961],
60          "cont" : [[1.000000000]]
61        }, {
62          "angular" : "p",
63          "prim" : [0.01079],
64          "cont" : [[1.000000000]]
65        }, {
66          "angular" : "p",
67          "prim" : [0.00393],
68          "cont" : [[1.000000000]]
69        }, {
70          "angular" : "d",
71          "prim" : [1.556004],
72          "cont" : [[1.000000000]]
73        }, {
74          "angular" : "d",
75          "prim" : [0.61219],
76          "cont" : [[1.000000000]]
77        }, {
78          "angular" : "d",
79          "prim" : [0.22305],
80          "cont" : [[1.000000000]]
81        }, {
82          "angular" : "d",
83          "prim" : [0.02961],
84          "cont" : [[1.000000000]]
85        }, {
86          "angular" : "f",
87          "prim" : [0.61219],
88          "cont" : [[1.000000000]]
89        }, {
90          "angular" : "f",
91          "prim" : [0.22305],
92          "cont" : [[1.000000000]]
93        }, {
94          "angular" : "f",
95          "prim" : [0.08126],
96          "cont" : [[1.000000000]]
97        }
98      ],
99      "ncore": "10",
100      "core" : [
101        {
102          "ecp_angular" : "g",
103          "ecp_exp" : [1.000000000],
104          "ecp_coef" : [0.000000000],
105          "ecp_r" : [2]
106        }, {
107          "ecp_angular" : "s",
108          "ecp_exp" : [6.882798725],
109          "ecp_coef" : [91.144930956],
110          "ecp_r" : [2]
111        }, {
112          "ecp_angular" : "p",
113          "ecp_exp" : [4.726860935,4.845267086],
114          "ecp_coef" : [9.674728404, 20.569141945],
115          "ecp_r" : [2, 2]
116        }, {
117          "ecp_angular" : "d",
118          "ecp_exp" : [8.707542696,8.310839526,8.707542696,8.310839526],
119          "ecp_coef" : [-2.542646076, -3.464046663, -2.542646076, -3.464046663],
120          "ecp_r" : [2, 2, 2, 2]
121        }, {
122          "ecp_angular" : "f",
123          "ecp_exp" : [13.939669153,16.629551418],
124          "ecp_coef" : [-16.555281537, -36.621153100],
125          "ecp_r" : [2, 2]
126        }
127      ],
128      "so" : [
129        {
130          "ecp_angular" : "p",
131          "ecp_exp" : [4.726860935,4.845267086],
132          "ecp_coef" : [-19.349456809, 20.569141945],
133          "ecp_r" : [2, 2]
134        }, {
135          "ecp_angular" : "d",
136          "ecp_exp" : [8.707542696,8.310839526,8.707542696,8.310839526],
137          "ecp_coef" : [2.542646076, -2.309364442, 2.542646076, -2.309364442],
138          "ecp_r" : [2, 2, 2, 2]
139        }, {
140          "ecp_angular" : "f",
141          "ecp_exp" : [13.939669153,16.629551418],
142          "ecp_coef" : [11.036854358, -18.310576550],
143          "ecp_r" : [2, 2]
144        }
145      ]
146    }
147  ],
148  "Cu" : [
149    {
150      "valence" : [
151        {
152          "angular" : "s",
153          "prim" : [1807.730825, 251.743965, 58.182580, 39.813486, 10.797311, 2.502287, 1.197172, 0.822621, 0.555612, 0.141669, 0.061692],
154          "cont" : [[0.000188,0.001075,-0.021019,0.070323,-0.418102,0.620678,0.500523,0.010979,0.096116,0.002099,0.000732]]
155        }, {
156          "angular" : "s",
157          "prim" : [1807.730825, 251.743965, 58.182580, 39.813486, 10.797311, 2.502287, 1.197172, 0.822621, 0.555612, 0.141669, 0.061692],
158          "cont" : [[-0.000049,-0.000225,0.004106,-0.015312,0.104015,-0.201801,-0.106154,-0.241450,0.104632,0.497805,0.484503]]
159        }, {
160          "angular" : "s",
161          "prim" : [1807.730825, 251.743965, 58.182580, 39.813486, 10.797311, 2.502287, 1.197172, 0.822621, 0.555612, 0.141669, 0.061692],
162          "cont" : [[0.000111,0.000356,-0.005871,0.027787,-0.226135,0.670281,-0.378058,1.595158,-1.722149,-1.017339,0.821045]]
163        }, {
164          "angular" : "s",
165          "prim" : [1807.730825, 251.743965, 58.182580, 39.813486, 10.797311, 2.502287, 1.197172, 0.822621, 0.555612, 0.141669, 0.061692],
166          "cont" : [[0.000304,-0.000538,0.013989,0.013509,-0.428005,1.984372,-1.342020,0.890964,-2.075507,1.795494,-0.196668]]
167        }, {
168          "angular" : "s",
169          "prim" : [1807.730825, 251.743965, 58.182580, 39.813486, 10.797311, 2.502287, 1.197172, 0.822621, 0.555612, 0.141669, 0.061692],
170          "cont" : [[-0.000880,0.007398,-0.151319,0.192731,0.393105,-4.042306,7.327937,-1.351192,-3.184816,0.005792,1.887507]]
171        }, {
172          "angular" : "s",
173          "prim" : [0.027442],
174          "cont" : [[1.000000000]]
175        }, {
176          "angular" : "p",
177          "prim" : [349.782623,57.563402,20.878136,14.398715,4.668692,2.247633,1.032126,0.426079,0.241597,0.094585,0.038386],
178          "cont" : [[0.000246,0.005104,-0.043193,-0.047677,0.297048,0.474523,0.313383,0.061090,-0.003666,0.002271,-0.000725]]
179        }, {
180          "angular" : "p",
181          "prim" : [349.782623,57.563402,20.878136,14.398715,4.668692,2.247633,1.032126,0.426079,0.241597,0.094585,0.038386],
182          "cont" : [[-0.000030,-0.000668,0.006166,0.004753,-0.040902,-0.066856,-0.040345,0.008179,0.112300,0.311345,0.490504]]
183        }, {
184          "angular" : "p",
185          "prim" : [349.782623,57.563402,20.878136,14.398715,4.668692,2.247633,1.032126,0.426079,0.241597,0.094585,0.038386],
186          "cont" : [[-0.000149,-0.003461,0.036186,0.017315,-0.253758,-0.354667,0.118535,0.440770,0.492460,0.112273,-0.425970]]
187        }, {
188          "angular" : "p",
189          "prim" : [349.782623,57.563402,20.878136,14.398715,4.668692,2.247633,1.032126,0.426079,0.241597,0.094585,0.038386],
190          "cont" : [[-0.000294,-0.005294,0.068054,0.022884,-0.622932,-0.370647,0.947867,0.755384,-1.012201,-0.500249,0.454322]]
191        }, {
192          "angular" : "p",
193          "prim" : [349.782623,57.563402,20.878136,14.398715,4.668692,2.247633,1.032126,0.426079,0.241597,0.094585,0.038386],
194          "cont" : [[0.000379,0.007809,-0.146879,0.055947,1.309825,-0.919982,-1.194123,2.207012,-0.671507,-0.953165,0.420796]]
195        }, {
196          "angular" : "p",
197          "prim" : [0.016132],
198          "cont" : [[1.000000000]]
199        }, {
200          "angular" : "d",
201          "prim" : [141.417530,44.248492,17.365523,7.333206,3.146885,1.302529,0.501866,0.171762,0.06],
202          "cont" : [[0.002622,0.024991,0.093857,0.224797,0.336204,0.345518,0.261482,0.103927,0.003859]]
203        }, {
204          "angular" : "d",
205          "prim" : [141.417530,44.248492,17.365523,7.333206,3.146885,1.302529,0.501866,0.171762,0.06],
206          "cont" : [[-0.003326,-0.031660,-0.122639,-0.299321,-0.337406,0.069660,0.526638,0.362134,0.029417]]
207        }, {
208          "angular" : "d",
209          "prim" : [141.417530,44.248492,17.365523,7.333206,3.146885,1.302529,0.501866,0.171762,0.06],
210          "cont" : [[0.003990,0.038735,0.154667,0.396791,0.097948,-0.729168,-0.091988,0.683651,0.135736]]
211        }, {
212          "angular" : "d",
213          "prim" : [141.417530,44.248492,17.365523,7.333206,3.146885,1.302529,0.501866,0.171762,0.06],
214          "cont" : [[0.005662,0.055453,0.238599,0.588797,-0.745051,-0.399266,1.070381,-0.564880,-0.291175]]
215        }, {
216          "angular" : "f",
217          "prim" : [5.10],
218          "cont" : [[1.0000000]]
219        }, {
220          "angular" : "f",
221          "prim" : [1.275],
222          "cont" : [[1.0000000]]
223        }, {
224          "angular" : "f",
225          "prim" : [0.32],
226          "cont" : [[1.0000000]]
227        }, {
228          "angular" : "g",
229          "prim" : [3.68],
230          "cont" : [[1.0000000]]
231        }, {
232          "angular" : "g",
233          "prim" : [0.92],
234          "cont" : [[1.0000000]]
235        }
236      ],
237      "ncore" : "10",
238      "core" : [
239        {
240          "ecp_angular" : "g",
241          "ecp_exp" : [1.000000000],
242          "ecp_coef" : [0.000000000],
243          "ecp_r" : [2]
244        }, {
245          "ecp_angular" : "s",
246          "ecp_exp" : [30.110543, 13.076310],
247          "ecp_coef" : [355.750512, 70.930906],
248          "ecp_r" : [2, 2]
249        }, {
250          "ecp_angular" : "p",
251          "ecp_exp" : [32.692614, 32.770339, 13.751067, 13.322166],
252          "ecp_coef" : [77.969931, 155.927448, 18.021132, 36.094372],
253          "ecp_r" : [2, 2, 2, 2]
254        }, {
255          "ecp_angular" : "d",
256          "ecp_exp" : [38.996511, 39.539788, 12.287511, 11.459300],
257          "ecp_coef" : [-12.343410, -18.273362, -0.984705, -1.318747],
258          "ecp_r" : [2, 2, 2, 2]
259        }, {
260          "ecp_angular" : "f",
261          "ecp_exp" : [6.190102, 8.118780],
262          "ecp_coef" : [-0.227264, -0.468773],
263          "ecp_r" : [2, 2]
264        }
265      ],
266      "so" : [
267        {
268          "ecp_angular" : "p",
269          "ecp_exp" : [32.692614, 32.770339, 13.751067, 13.322166],
270          "ecp_coef" : [-155.939863, 155.927448, -36.042265, 36.094372],
271          "ecp_r" : [2, 2, 2, 2]
272        }, {
273          "ecp_angular" : "d",
274          "ecp_exp" : [38.996511, 39.539788, 12.287511, 11.459300],
275          "ecp_coef" : [12.343410, -12.182241, 0.984705, -0.879165],
276          "ecp_r" : [2, 2, 2, 2]
277        }, {
278          "ecp_angular" : "f",
279          "ecp_exp" : [6.190102, 8.118780],
280          "ecp_coef" : [0.151509, -0.234387],
281          "ecp_r" : [2, 2]
282        }
283      ]
284    }
285  ]
286}
287