%chk=000297855.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297855

0 1
S 0.743423 3.089954 -1.439582
O 3.758839 0.589605 0.921661
O 4.974986 0.268515 -0.928838
O -2.153174 -1.759461 1.899085
O 2.117728 -3.288257 -0.890315
O -0.066740 -0.855119 2.266947
N 1.968632 -1.275134 0.185380
N -0.351464 -2.991518 1.373937
C 2.643746 -0.535558 -0.892562
C 1.749946 0.543180 -1.538152
C 1.222038 1.577323 -0.555847
C 3.923333 0.117199 -0.359257
C 1.757312 -2.645373 0.079115
C 1.082816 -3.299695 1.298414
C -2.935472 0.424812 1.197319
C -2.788235 -0.517017 2.355537
C 2.312333 3.961055 -1.645330
C -0.774419 -1.766303 1.874243
C -2.216582 1.628308 1.174439
C -3.796989 0.103075 0.138139
C -2.373727 2.513014 0.104010
C -3.943158 0.986622 -0.934320
C -3.234783 2.192908 -0.950572
H 2.962621 -1.273936 -1.697338
H 0.899435 0.037822 -2.047794
H 2.326936 1.023633 -2.359132
H 0.307175 1.214706 -0.037488
H 1.952471 1.808281 0.245868
H 1.619033 -0.726994 0.986454
H 1.215975 -4.406690 1.214119
H 1.600568 -2.984782 2.238677
H -1.008417 -3.634319 0.938704
H -3.756625 -0.909313 2.723741
H -2.199492 -0.098431 3.193426
H 3.052162 3.360940 -2.185672
H 2.739445 4.265088 -0.684050
H 2.115379 4.867644 -2.233952
H 4.589087 0.997132 1.290543
H -1.531858 1.873087 1.986936
H -4.344195 -0.838621 0.149527
H -1.817626 3.451635 0.087870
H -4.609139 0.735350 -1.758264
H -3.349019 2.881731 -1.786727


%chk=000297855-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297855

0 1
S 0.783380 3.095893 -1.649595
O 4.423182 -0.558676 1.250723
O 4.807627 1.089592 -0.333216
O -2.158294 -1.724886 1.861159
O 2.529615 -3.297082 -0.826696
O -0.002652 -0.802965 2.158318
N 2.043106 -1.252844 0.196765
N -0.339826 -2.911213 1.193806
C 2.923835 -0.482044 -0.680465
C 2.194450 0.613218 -1.505260
C 1.468593 1.653136 -0.632866
C 4.125468 0.118854 0.066109
C 1.939232 -2.622288 0.072098
C 1.079645 -3.300661 1.165344
C -3.170246 0.458353 1.204103
C -2.784929 -0.442548 2.354268
C 2.375359 4.080873 -1.868711
C -0.767683 -1.736506 1.761772
C -2.316390 1.517379 0.803151
C -4.388587 0.250919 0.507854
C -2.667910 2.350504 -0.282701
C -4.742999 1.081580 -0.577509
C -3.881616 2.131586 -0.975194
H 3.349204 -1.224764 -1.390564
H 1.469040 0.121105 -2.176469
H 2.950412 1.115173 -2.134751
H 0.592059 1.217285 -0.124479
H 2.141255 2.087486 0.128495
H 1.537208 -0.802109 0.977140
H 1.139063 -4.384922 0.986770
H 1.531937 -3.077558 2.150352
H -1.048833 -3.548160 0.829514
H -3.662820 -0.808316 2.909661
H -2.066748 0.040677 3.037620
H 3.141836 3.472879 -2.373524
H 2.748064 4.422557 -0.890154
H 2.120474 4.949288 -2.495962
H 5.237001 -0.153242 1.657818
H -1.378208 1.684174 1.345841
H -5.055219 -0.564256 0.815230
H -1.993500 3.157950 -0.588510
H -5.685995 0.914737 -1.109929
H -4.154284 2.775942 -1.818455


