Home
last modified time | relevance | path

Searched refs:XZZ (Results 76 – 100 of 143) sorted by relevance

123456

/dports/devel/py-cclib/cclib-1.7.1/data/Gaussian/basicGaussian09/
H A Ddvb_dispersion_bp86_d3zero.out668 …XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.…
/dports/devel/py-cclib/cclib-1.7.1/data/Gaussian/basicGaussian16/
H A Ddvb_dispersion_bp86_d3zero.out658 …XXY= 0.0000 XXZ= 0.0000 XZZ= 0.0000 YZZ= 0.…
H A Ddvb_td.out900 …XXY= 0.0000 XXZ= 0.0000 XZZ= -0.0000 YZZ= -0.…
H A Ddvb_ir.out727 …XXY= 0.0000 XXZ= 0.0000 XZZ= -0.0000 YZZ= -0.…
/dports/devel/py-cclib/cclib-1.7.1/data/Psi4/basicPsi4-1.2.1/
H A Ddvb_sp_rhf.out1283 Octupole XZZ : 0.0000000 0.0000000 0.0000000
H A Ddvb_sp_rks.out1330 Octupole XZZ : 0.0000000 0.0000000 0.0000000
H A Ddvb_sp_rohf.out1296 Octupole XZZ : 0.0000000 0.0000000 0.0000000
H A Ddvb_sp_uhf.out2164 Octupole XZZ : 0.0000000 0.0000000 0.0000000
H A Ddvb_sp_uks.out2204 Octupole XZZ : 0.0000000 0.0000000 0.0000000
/dports/devel/py-cclib/cclib-1.7.1/data/Psi4/basicPsi4-1.3.1/
H A Ddvb_sp_rhf.out1284 Octupole XZZ : 0.0000000 0.0000000 0.0000000
H A Ddvb_sp_rohf.out1293 Octupole XZZ : 0.0000000 0.0000000 0.0000000
H A Ddvb_sp_rks.out1334 Octupole XZZ : 0.0000000 0.0000000 0.0000000
H A Ddvb_sp_uks.out2201 Octupole XZZ : 0.0000000 0.0000000 0.0000000
H A Ddvb_sp_uhf.out2159 Octupole XZZ : 0.0000000 0.0000000 0.0000000
/dports/biology/molden/molden5.8/test/
H A Dgaussian.test1019 XXY= 0.0000 XXZ= -1.7815 XZZ= 0.0000 YZZ= 0.0000
H A Dgaussian.freq983 XXY= 0.0000 XXZ= 0.1093 XZZ= 0.3099 YZZ= 0.0000
/dports/devel/py-cclib/cclib-1.7.1/data/FChk/basicGaussian16/
H A Ddvb_td.out900 …XXY= 0.0000 XXZ= 0.0000 XZZ= -0.0000 YZZ= -0.…
/dports/science/cdk/cdk-cdk-2.3/base/testdata/src/test/resources/data/gaussian/
H A D4-cyanophenylnitrene-Benzazirine-TS.g94.out1044 XXY= 9.9436 XXZ= -14.9790 XZZ= 3.6250 YZZ= -0.6724
H A Dphenylnitrene.g94.out940 XXY= 0.0000 XXZ= 0.4359 XZZ= 0.0000 YZZ= 0.0000
H A Dphenylnitrene.g92.out1365 XXY= 0.0000 XXZ= 0.4359 XZZ= 0.0000 YZZ= 0.0000
/dports/devel/py-cclib/cclib-1.7.1/data/FChk/basicQChem5.2/
H A Ddvb_sp_un_modified.out1344 YYZ 0.0000 XZZ -0.0000 YZZ 0.0000
/dports/devel/py-cclib/cclib-1.7.1/data/QChem/basicQChem5.1/
H A Ddvb_sp_un.out1361 YYZ 0.0000 XZZ -0.0000 YZZ 0.0000
/dports/www/py-tuir/tuir-1.29.0/tests/cassettes/
H A Dtest_content_subreddit_from_name[multi-top].yaml217 055Sh6wThI+XZZ/E5nxG0/v85Rk5N4tE4hkMkBdaAn5RLhDtgbpHBHuEG0tu/SHsWs2YDTp/gUbC
/dports/devel/py-cclib/cclib-1.7.1/data/QChem/basicQChem4.2/
H A Ddvb_sp_un.out3513 YYZ 0.0000 XZZ -0.0000 YZZ 0.0000
/dports/graphics/megapov/megapov-1.2.1/doc/html/img/
H A Dtut_hdr_view.hdr25 …T�����������UVU��WUU�UTSW[[YYTXY[VTVXQUWVUVTRTUTVXVS[X[Z`{�Xllmlkh]V�]X[^][XZZ]Y^adee_ab�^]]\YYWX…
37 …fhfe^\XV]X]]_a_wzylggknj`f`]\]bgfjfabVaqnrhc���_bb_a`]�_khq}{��w��\_h]e_]^�XZZ[YXq�\k|�hYY�������V…
40 …eprtru{tploqgjkfmolmsmngdj`\^][___\\X`hjige[YYZ^]__caVVe_Z^Wnlmea�f`a__[��]XZZ�]ae���qimgomcafd_ca…

123456