%chk=000267320.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267320

0 1
S 0.073090 1.846591 1.073218
O -1.046021 -2.062599 -2.131565
O -0.726739 -3.123157 0.310532
O -4.243818 -2.500169 0.098649
O -2.495831 -4.547354 1.703527
O -0.598095 2.687136 -1.302207
O -4.876215 4.297687 -1.616490
O 3.918720 -1.912550 2.287220
O 1.772053 -1.872879 2.081530
O 5.945145 2.010436 -2.012642
O 6.786381 0.719125 -0.494293
N 0.668680 -0.799890 -0.026604
N -2.250355 1.558091 -0.154465
N -2.757619 3.513417 -1.462718
N 2.906937 -1.548752 1.715304
N 5.845436 1.185010 -1.118478
C -0.574981 -0.240574 -0.588519
C -1.564154 -1.363451 -1.011890
C -1.225173 0.697050 0.468306
C -1.919345 -2.361224 0.119207
C -3.096589 -3.272390 -0.309360
C 1.894237 -0.216204 -0.191633
C -3.104130 -4.633328 0.407466
C -3.608251 1.447743 0.204259
C -1.775195 2.621045 -0.998097
C 0.402896 1.194360 2.754542
C -4.536106 2.321329 -0.261893
C 3.028753 -0.672219 0.568851
C 2.116387 0.807669 -1.180423
C -4.162871 3.445866 -1.138289
C 1.562992 2.013062 3.276205
C 4.324568 -0.214662 0.239158
C 3.373953 1.256222 -1.466780
C -5.978650 2.211267 0.092704
C 4.501636 0.718991 -0.769187
H -0.333762 0.354094 -1.525951
H -2.497270 -0.891845 -1.417192
H -1.663932 0.110261 1.312188
H -2.183520 -1.838347 1.067814
H -3.116882 -3.416897 -1.415301
H 0.552853 -1.609704 0.632511
H -0.286444 -2.642061 -1.852684
H -2.460327 -5.371492 -0.115368
H -4.127920 -5.035200 0.504615
H -3.873140 0.610498 0.862932
H -0.841746 -3.766569 1.078017
H -0.492289 1.305864 3.391285
H 0.657866 0.115659 2.710352
H -5.044906 -2.785560 -0.385268
H 1.246553 1.249697 -1.687708
H -2.437935 4.288268 -2.065756
H 2.461166 1.921738 2.647869
H 1.325559 3.084189 3.349885
H 1.850901 1.682017 4.285669
H 5.193258 -0.602622 0.801698
H 3.549569 2.028999 -2.227502
H -6.170370 2.595659 1.106449
H -6.344397 1.177477 0.048070
H -6.609427 2.807760 -0.590864
H -3.067387 -4.024078 2.310591


%chk=000267320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267320

0 1
S 0.091391 2.146841 1.231339
O -0.923981 -2.031493 -2.061515
O -0.762021 -3.030425 0.475039
O -4.297651 -2.244828 0.377774
O -2.771377 -4.473203 1.690670
O -0.746074 2.655127 -1.713813
O -5.267665 3.822936 -1.923028
O 4.227356 -2.466396 1.791795
O 1.956476 -2.393461 1.665247
O 6.173571 2.068258 -2.043093
O 7.061460 0.453143 -0.691574
N 0.781470 -0.700695 0.019959
N -2.236478 1.608842 -0.218411
N -3.023415 3.192650 -1.782675
N 3.142910 -1.964306 1.306518
N 6.057530 1.073500 -1.221657
C -0.442745 -0.122596 -0.540842
C -1.456989 -1.236890 -0.955637
C -1.117951 0.898141 0.442490
C -1.919618 -2.184887 0.173363
C -3.178673 -2.992442 -0.252739
C 2.051424 -0.247230 -0.239287
C -3.143005 -4.437518 0.261669
C -3.549737 1.479267 0.259876
C -1.920492 2.500934 -1.273176
C 0.289536 1.300796 2.930683
C -4.618087 2.176846 -0.249488
C 3.229211 -0.872704 0.336241
C 2.289288 0.877607 -1.109338
C -4.384467 3.119161 -1.356537
C 1.285949 2.116090 3.766661
C 4.533918 -0.439755 0.010164
C 3.574130 1.298858 -1.431918
C -6.027890 2.024882 0.263686
C 4.699711 0.627475 -0.876364
H -0.204284 0.414801 -1.471075
H -2.345167 -0.731575 -1.372678
H -1.548714 0.355716 1.301574
H -2.221976 -1.616171 1.076946
H -3.278717 -3.003379 -1.356824
H 0.700250 -1.551944 0.609796
H -0.256035 -2.657032 -1.670956
H -2.356259 -5.011002 -0.253215
H -4.117782 -4.939030 0.098221
H -3.681014 0.757938 1.071023
H -1.026607 -3.660678 1.205192
H -0.703468 1.262178 3.413115
H 0.658339 0.275684 2.755340
H -5.142165 -2.434211 -0.103098
H 1.440920 1.439946 -1.505481
H -2.820141 3.844054 -2.548498
H 2.272586 2.167137 3.273725
H 0.927403 3.147675 3.930597
H 1.424144 1.640347 4.754660
H 5.397647 -0.938499 0.456572
H 3.737937 2.149544 -2.098251
H -6.404827 2.986028 0.657701
H -6.087237 1.267187 1.063488
H -6.711979 1.737074 -0.554921
H -3.442071 -3.945814 2.196462


