%chk=000265401.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265401

0 1
S 2.774121 1.276582 -0.706702
O -3.536564 0.403364 1.923869
N 0.279703 -0.186265 0.370773
N -3.130164 -0.854018 -1.065409
C -1.653684 -0.568786 -1.188608
C -1.062811 -0.814201 0.232865
C -0.958258 -1.468582 -2.212342
C 0.338061 1.221343 0.582785
C 1.438158 -0.977931 0.149410
C -3.852203 0.288849 -0.414948
C -3.785667 -1.225319 -2.351375
C 1.459782 1.984747 0.204589
C 2.662684 -0.410159 -0.258391
C -4.406877 -0.197321 0.933357
C -0.734483 1.882164 1.223738
C 1.396759 -2.372755 0.381856
C 1.537124 3.349039 0.483276
C 3.814657 -1.183854 -0.388812
C -0.661771 3.248974 1.480646
C 2.545814 -3.145471 0.227607
C 0.470083 3.988964 1.118487
C 3.758835 -2.560000 -0.150828
H -1.469243 0.500623 -1.479139
H -1.006415 -1.905948 0.439200
H -1.742786 -0.399332 1.023595
H -1.173443 -2.529847 -2.042491
H -1.244684 -1.223979 -3.240281
H 0.133229 -1.346554 -2.153813
H -4.680218 0.678239 -1.041961
H -3.185968 1.165527 -0.225471
H -3.399819 -2.205291 -2.679019
H -3.642030 -0.502883 -3.168151
H -4.867175 -1.356370 -2.185995
H -4.365903 -1.296986 1.035362
H -5.431771 0.166142 1.116455
H -1.625356 1.319761 1.532393
H 0.463118 -2.845014 0.688741
H 2.424076 3.919201 0.201275
H 4.758477 -0.720890 -0.683477
H -1.497260 3.744312 1.975975
H 2.497389 -4.219023 0.410607
H 0.520062 5.053339 1.331045
H 4.651934 -3.169315 -0.258806
H -3.744213 0.059225 2.811816


%chk=000265401-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265401

0 1
S 2.941050 1.095188 -1.037684
O -3.629633 0.469450 1.696238
N 0.387524 -0.231547 -0.006725
N -3.244152 -0.723287 -1.051182
C -1.890303 -0.146933 -1.152305
C -0.965794 -0.831369 -0.091035
C -1.275879 -0.210161 -2.570224
C 0.503077 1.143616 0.369276
C 1.534251 -1.080438 0.058924
C -4.353543 0.113784 -0.600250
C -3.569083 -1.965657 -1.753049
C 1.672136 1.882889 0.034909
C 2.814038 -0.597887 -0.337135
C -4.736925 -0.071620 0.880810
C -0.526487 1.810026 1.091844
C 1.451843 -2.418050 0.537812
C 1.834632 3.222103 0.438529
C 3.961104 -1.411241 -0.263126
C -0.378741 3.165295 1.459558
C 2.593746 -3.247551 0.573678
C 0.800620 3.877518 1.146877
C 3.854612 -2.752142 0.174204
H -1.982823 0.919054 -0.875009
H -0.843026 -1.886363 -0.388940
H -1.499998 -0.809252 0.878798
H -1.157180 -1.253014 -2.918468
H -1.915660 0.325675 -3.294694
H -0.276497 0.259060 -2.571376
H -5.263121 -0.091974 -1.205925
H -4.112355 1.185865 -0.749313
H -2.713816 -2.665779 -1.728684
H -3.851680 -1.822940 -2.823833
H -4.413329 -2.478772 -1.252971
H -4.890542 -1.150214 1.094719
H -5.677206 0.482768 1.096381
H -1.448411 1.282808 1.358334
H 0.496591 -2.808124 0.901546
H 2.757950 3.752419 0.181748
H 4.930900 -0.999294 -0.562279
H -1.192409 3.659839 2.001911
H 2.496876 -4.277535 0.934742
H 0.917117 4.925280 1.442646
H 4.743236 -3.390582 0.209294
H -3.817410 0.313390 2.655130


