%chk=000211657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211657

0 1
S 3.992735 -1.729867 1.367270
S -3.884881 -1.018717 -2.105163
S 2.857684 -3.612033 -0.657668
S -1.947465 -3.193699 -2.786370
O 1.032347 -0.432845 2.098271
O -1.600173 0.837599 -0.617499
O 6.418635 2.079246 1.096594
O -6.849568 0.539132 0.836861
O 6.261989 1.973470 -1.159773
O -5.817190 2.132345 -0.396909
N 1.849653 -1.207882 0.022269
N -1.785563 -1.514898 -0.685814
C 1.911551 -0.080552 1.018469
C -2.339779 -0.257809 -0.060942
C 3.364686 -0.023020 1.564112
C -3.821140 -0.144751 -0.498789
C 0.698349 -1.333576 -0.909058
C -0.483107 -2.071024 -0.236471
C 4.275719 0.939795 0.824207
C -4.826273 -0.782739 0.447351
C 1.358367 1.229691 0.499135
C -2.081660 -0.160066 1.429158
C 2.785499 -2.198885 0.133884
C -2.408138 -1.980290 -1.811231
C 5.739500 0.797514 1.244361
C -6.273742 -0.532589 0.028374
C 6.657014 2.554994 -0.178875
C -6.567258 1.846295 0.507950
C 7.424912 3.825253 -0.076499
C -7.315689 2.746648 1.425217
H 3.337039 0.222644 2.653952
H -4.087270 0.937984 -0.667886
H 0.389324 -0.316443 -1.246257
H 1.020834 -1.884122 -1.828606
H -0.439738 -3.163093 -0.478467
H -0.419041 -1.993579 0.872912
H 4.202771 0.803789 -0.280528
H 3.951051 1.987981 1.010022
H -4.645358 -1.876469 0.532813
H -4.690628 -0.385205 1.479120
H 1.854326 1.561667 -0.421544
H 1.455511 2.024022 1.251840
H 0.271749 1.156684 0.278325
H -2.450054 -1.032481 1.980248
H -2.547963 0.743181 1.846962
H -0.996599 -0.064021 1.648304
H 1.305329 -1.253850 2.563327
H -1.793696 0.990409 -1.569660
H 5.878686 0.612341 2.325058
H 6.281966 0.044455 0.643716
H -6.941269 -1.373913 0.296423
H -6.398382 -0.276047 -1.038399
H 7.582586 4.141769 0.967142
H 6.906912 4.640934 -0.605085
H 8.417027 3.717026 -0.544950
H -8.037640 3.361619 0.862471
H -6.632720 3.442670 1.937694
H -7.879064 2.194408 2.195031


%chk=000211657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211657

0 1
S 3.923223 -1.751478 1.527773
S -3.835773 0.049495 -2.071807
S 2.562236 -3.234598 -0.838086
S -1.606411 -1.767070 -3.250216
O 1.181418 -0.309629 2.457065
O -1.868731 1.421195 0.098220
O 6.759559 1.934404 0.768549
O -7.065174 -0.001262 0.703589
O 6.967011 0.752091 -1.234033
O -6.692501 1.643007 -0.914506
N 1.868316 -0.755161 0.159960
N -1.804077 -0.904304 -0.635475
C 2.011606 0.174644 1.326817
C -2.469950 0.078965 0.281029
C 3.515893 0.110108 1.727723
C -3.960482 0.111579 -0.164432
C 0.717761 -0.667745 -0.766250
C -0.505843 -1.524901 -0.296449
C 4.463675 0.983542 0.889525
C -4.823240 -1.056239 0.349158
C 1.508344 1.592098 1.054235
C -2.274870 -0.235343 1.765225
C 2.666488 -1.884920 0.169816
C -2.286818 -0.956293 -1.931846
C 5.931071 0.827680 1.324594
C -6.290702 -1.002075 -0.097101
C 7.235275 1.758327 -0.542796
C -7.233845 1.277762 0.154147
C 8.108201 2.926499 -0.943425
C -8.162093 2.103198 1.016501
H 3.596671 0.348918 2.802724
H -4.390596 1.089290 0.100260
H 0.416425 0.387028 -0.846830
H 1.051964 -1.020011 -1.756286
H -0.465301 -2.514000 -0.782333
H -0.461787 -1.660418 0.794432
H 4.369129 0.739657 -0.183693
H 4.182097 2.045284 1.030129
H -4.389716 -2.012679 -0.002609
H -4.807961 -1.072007 1.455872
H 1.962523 2.010379 0.140934
H 1.772677 2.235370 1.910168
H 0.411023 1.606594 0.948368
H -2.545682 -1.279436 1.993989
H -2.916371 0.436833 2.359301
H -1.229462 -0.061877 2.069868
H 1.575730 -1.169065 2.774023
H -2.138093 1.752614 -0.802887
H 6.045120 0.942438 2.416261
H 6.343131 -0.140865 0.992391
H -6.797443 -1.954550 0.125300
H -6.383658 -0.760914 -1.170994
H 7.642794 3.880597 -0.646843
H 8.281827 2.904997 -2.028948
H 9.080711 2.857314 -0.423322
H -9.209753 1.849280 0.771848
H -8.006558 3.173027 0.813286
H -8.006305 1.883724 2.084484


