%chk=000291692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291692

0 1
S -2.067339 2.308520 0.664837
O -0.619873 -1.084705 0.033169
O 1.249295 1.442383 -0.975097
O 2.827924 -0.957579 0.786298
O 2.190078 -2.870179 -1.764238
O -4.266252 -0.681649 -1.156200
O 1.899765 3.356341 0.031933
O -5.968395 -0.763069 3.087230
O 4.262847 0.009916 -0.673588
O 4.132356 -3.460344 -0.753532
N -2.780542 -0.348641 0.585626
N -5.124618 -0.729652 0.987538
C 0.368359 1.115450 0.130748
C 0.573788 -0.382871 0.472614
C -1.063713 1.239213 -0.398971
C -1.659475 -0.179351 -0.381225
C 1.773706 -1.052411 -0.225512
C 1.571754 -2.545809 -0.491414
C -2.567072 -0.270325 1.976583
C -4.087803 -0.595516 0.044106
C -1.353458 3.962600 0.334334
C 2.055934 2.575607 -0.874936
C -3.584864 -0.409295 2.865017
C -2.067548 4.907670 1.274298
C -4.965365 -0.638330 2.419324
C 4.078236 -0.502723 0.406644
C 3.010492 2.568382 -2.004180
C -3.361097 -0.335586 4.337097
C 3.501442 -3.310417 -1.772584
C 5.032554 -0.748989 1.514767
C 3.910362 -3.543204 -3.182674
H 0.604971 1.779695 0.995121
H 0.633348 -0.544828 1.574688
H -1.050426 1.636269 -1.444954
H -1.990795 -0.551571 -1.389001
H 2.088840 -0.514192 -1.157152
H 1.999298 -3.171529 0.315715
H 0.506515 -2.805450 -0.674586
H -1.529600 -0.109999 2.296505
H -0.256788 3.955578 0.513004
H -1.515379 4.237093 -0.723859
H -6.072104 -0.896132 0.616173
H -3.153382 4.933157 1.102917
H -1.908349 4.649700 2.331105
H -1.700519 5.936528 1.142248
H 3.799270 1.798721 -1.833493
H 3.512053 3.540819 -2.119145
H 2.536539 2.299663 -2.961303
H -4.314107 -0.392389 4.892449
H -2.878254 0.606869 4.629794
H -2.736427 -1.166105 4.694261
H 4.540808 -0.794017 2.499557
H 5.819834 0.019022 1.549121
H 5.528764 -1.728849 1.367531
H 4.683491 -2.817584 -3.486204
H 4.341798 -4.549351 -3.305823
H 3.069323 -3.444855 -3.888880


%chk=000291692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291692

0 1
S -1.386888 2.172263 1.865966
O -0.612074 -0.793440 0.300119
O 0.820317 1.282518 -1.507077
O 3.053408 -0.180327 0.264398
O 2.560341 -3.261885 -0.479000
O -3.886474 1.243614 -1.225312
O 2.384980 3.002019 -1.250701
O -6.647040 -0.697414 2.021383
O 3.909763 -0.443954 -1.894569
O 4.622849 -2.900692 0.563704
N -2.903826 -0.100149 0.430726
N -5.233814 0.229308 0.410719
C 0.520104 1.320428 -0.048855
C 0.687150 -0.096931 0.542495
C -0.989346 1.586551 0.108187
C -1.590541 0.185995 -0.193166
C 1.812421 -0.930157 -0.090281
C 1.883860 -2.350736 0.480356
C -3.038417 -0.874763 1.585974
C -4.009576 0.510528 -0.201485
C -0.951783 4.011452 1.622794
C 1.803262 2.180116 -1.990423
C -4.252793 -1.123842 2.181825
C -1.155663 4.752836 2.950494
C -5.468341 -0.550666 1.585134
C 4.055060 -0.051132 -0.714541
C 2.035862 1.950365 -3.461094
C -4.406132 -1.966336 3.423725
C 3.951051 -3.422676 -0.353882
C 5.280353 0.587356 -0.115199
C 4.478971 -4.267844 -1.487636
H 1.169535 2.067507 0.433210
H 0.832460 -0.012317 1.636686
H -1.369956 2.337650 -0.600739
H -1.714845 0.082514 -1.286142
H 1.701787 -0.968155 -1.187687
H 2.419361 -2.359508 1.446713
H 0.867245 -2.761993 0.578829
H -2.100860 -1.283105 1.966504
H 0.095317 4.075963 1.280518
H -1.617681 4.399654 0.833127
H -6.058142 0.653009 -0.027072
H -2.200517 4.674596 3.298975
H -0.495463 4.353412 3.740394
H -0.919683 5.824649 2.819030
H 2.716440 1.085488 -3.572338
H 2.509797 2.836371 -3.908504
H 1.093474 1.710125 -3.977654
H -4.878368 -1.383483 4.235183
H -3.431299 -2.342073 3.778357
H -5.071193 -2.828102 3.232673
H 5.005104 1.468790 0.486268
H 5.982779 0.873343 -0.910993
H 5.762260 -0.146601 0.555990
H 4.642856 -3.613845 -2.364226
H 5.439747 -4.720998 -1.201919
H 3.752999 -5.043600 -1.776162


