%chk=000281369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281369

0 1
S -4.683898 1.077045 0.043304
S -7.960608 -1.667255 -1.206880
O -4.899349 1.137411 1.458115
O -4.908033 2.190318 -0.830009
O 5.036951 -0.899112 -1.957978
O 2.549022 -2.832812 0.953816
N 4.234310 0.314951 -0.155119
N -5.626812 -0.288699 -0.581330
N 1.731846 -0.813220 -0.736062
N 0.645242 -1.305987 -1.081993
N -7.801166 0.693223 -0.123686
N -9.114735 0.426012 -0.242387
C -3.119853 0.408114 -0.271628
C 2.937577 -1.603432 -1.080223
C 5.286979 1.285324 -0.006183
C 5.188437 2.227018 1.053327
C 4.174792 -0.673071 -1.128387
C -2.479889 -0.360396 0.708574
C -2.478451 0.679225 -1.486254
C -0.584203 -0.623049 -0.758860
C -1.209420 -0.884104 0.473689
C -1.207936 0.164619 -1.742597
C 6.391172 1.306065 -0.871711
C 3.199021 -2.740289 -0.053986
C 6.214432 3.166420 1.208434
C 4.030710 2.238527 1.998830
C 7.399717 2.255527 -0.691702
C 7.314567 3.185274 0.345329
C 4.290912 -3.671748 -0.452372
C -6.998789 -0.288493 -0.576846
C -9.415662 -0.737933 -0.775859
H 2.863224 -2.080654 -2.103328
H -2.971369 -0.543552 1.673505
H -2.969601 1.309589 -2.239769
H 3.426462 0.431216 0.470901
H -0.704245 -1.484899 1.232983
H -0.705621 0.372422 -2.687575
H 6.470527 0.582645 -1.691096
H 6.155948 3.896532 2.015767
H -5.169416 -1.123595 -0.965423
H 4.110080 3.045977 2.741747
H 3.962876 1.301501 2.570933
H 3.075767 2.396792 1.477076
H 8.253897 2.264953 -1.368148
H 8.100736 3.924984 0.484721
H 3.904887 -4.496455 -1.073053
H 5.095446 -3.189512 -1.036205
H 4.759865 -4.140549 0.428588
H -10.409643 -1.123467 -0.949790


%chk=000281369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281369

0 1
S -4.385880 1.433821 -0.651388
S -7.542059 -1.661491 0.622852
O -4.221609 2.374541 0.651744
O -4.953172 1.995798 -2.055296
O 5.537073 -1.160220 -1.567023
O 2.557008 -3.272166 0.525864
N 4.132680 0.175923 -0.208287
N -5.307391 -0.142597 -0.183264
N 1.938356 -1.040161 -0.986362
N 0.968832 -1.238165 -1.822168
N -7.370120 0.997844 0.214109
N -8.695134 0.757612 0.600913
C -2.728374 0.575271 -0.976883
C 3.169790 -1.771417 -1.336661
C 5.002884 1.189156 0.288846
C 4.433532 2.163651 1.168478
C 4.415181 -0.872113 -1.055041
C -1.823345 0.469771 0.095868
C -2.462906 0.135221 -2.284299
C -0.267993 -0.585898 -1.469042
C -0.572591 -0.124471 -0.157916
C -1.210458 -0.468899 -2.522640
C 6.376301 1.242573 -0.064616
C 3.294326 -3.079389 -0.467257
C 5.278553 3.179149 1.670573
C 2.965241 2.113869 1.558646
C 7.190471 2.269606 0.456079
C 6.647672 3.242152 1.324396
C 4.346966 -4.052324 -0.952730
C -6.633566 -0.115940 0.169178
C -8.962212 -0.512145 0.846063
H 3.197149 -2.070442 -2.402773
H -2.089651 0.855739 1.085403
H -3.198994 0.276393 -3.082003
H 3.137693 0.219549 0.058616
H 0.165465 -0.253971 0.639206
H -0.941061 -0.846599 -3.513460
H 6.785898 0.486462 -0.737189
H 4.853796 3.931981 2.344945
H -4.750411 -0.998938 -0.205267
H 2.717872 2.942075 2.242346
H 2.706794 1.170916 2.080979
H 2.294701 2.207489 0.680467
H 8.249830 2.306085 0.180104
H 7.279323 4.039939 1.729027
H 3.972062 -4.573480 -1.855507
H 5.266648 -3.516970 -1.249452
H 4.558008 -4.800244 -0.173044
H -9.936478 -0.885144 1.158069


