%chk=000192411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192411

0 1
S 2.057037 -1.836386 1.381236
O 1.904515 0.390363 0.329462
O -1.776509 1.416752 0.885559
O -0.143895 1.147122 -2.143368
O 1.230510 3.952712 0.105272
O -2.042111 -1.068754 2.978399
O -3.707942 0.391326 0.298617
O -0.485701 3.278264 -2.827523
O 2.775214 3.980451 -1.548220
N -1.095316 -1.689277 0.994066
N 1.137468 -3.633045 -0.384154
C -1.011526 0.579378 -0.025722
C -0.294322 -0.459816 0.877178
C -0.079473 1.566861 -0.741312
C 1.411638 1.562806 -0.366647
C 1.078193 -0.769520 0.262925
C 1.753986 2.701745 0.613533
C -1.918127 -1.913614 2.105574
C -3.124584 1.115835 1.067415
C -0.358024 2.111339 -3.112916
C 2.053888 -3.406129 0.587891
C -2.632559 -3.233751 2.103214
C -3.598163 1.811780 2.286751
C -0.387036 1.449315 -4.441870
C 1.809245 4.493116 -1.036925
C 2.986056 -4.362341 1.024909
C 1.024006 5.682998 -1.444417
C 2.961499 -5.616112 0.411398
C 1.137516 -4.859879 -0.976072
C 2.030573 -5.874678 -0.603711
H -1.702992 0.094332 -0.761319
H -0.176956 0.005957 1.904931
H -0.493177 2.613042 -0.649929
H 2.036972 1.627343 -1.294657
H 1.027342 -1.152623 -0.780935
H 2.845088 2.783112 0.765489
H 1.231107 2.601524 1.583008
H -0.974735 -2.392481 0.264699
H -1.957672 -4.086752 1.959582
H -3.403942 -3.273582 1.319899
H -3.147898 -3.382623 3.066409
H -3.065145 2.756899 2.472973
H -3.402648 1.162220 3.167676
H -4.677865 2.012747 2.248371
H -1.342687 1.644368 -4.956020
H 0.415876 1.840119 -5.089688
H -0.258382 0.356116 -4.374994
H 3.707071 -4.133614 1.808942
H 1.653521 6.427585 -1.952165
H 0.230837 5.371053 -2.158240
H 0.512924 6.167736 -0.598743
H 3.666951 -6.389773 0.718034
H 0.392612 -5.011239 -1.765589
H 2.001844 -6.843827 -1.095876


%chk=000192411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192411

0 1
S 2.101902 -1.860706 1.752312
O 1.620652 0.654284 0.968619
O -1.494157 1.502979 1.704154
O -0.321908 0.566981 -1.684193
O 0.791650 4.123613 -0.084718
O -2.962146 -1.443589 2.053862
O -3.520191 2.041843 0.671752
O -0.160264 2.504797 -2.974247
O 2.798456 4.088279 -1.274568
N -1.068128 -1.911332 0.800055
N 1.129047 -3.517332 -0.242144
C -1.167291 0.602420 0.566599
C -0.437634 -0.641818 1.172830
C -0.328941 1.409918 -0.442118
C 1.127854 1.673455 0.004360
C 1.036655 -0.657679 0.729359
C 1.292101 3.007997 0.755892
C -2.300981 -2.248686 1.320776
C -2.773147 2.101080 1.669533
C -0.243110 1.258775 -2.904516
C 2.162049 -3.296864 0.621361
C -2.823375 -3.633267 0.951190
C -3.071018 2.763719 2.991987
C -0.267952 0.300131 -4.072502
C 1.645026 4.547574 -1.124320
C 3.281817 -4.164880 0.709189
C 0.947353 5.560384 -1.995488
C 3.320136 -5.298353 -0.125742
C 1.194232 -4.606778 -1.067101
C 2.261235 -5.526108 -1.040126
H -2.107542 0.298823 0.076855
H -0.487789 -0.505710 2.270780
H -0.821739 2.368944 -0.680177
H 1.789267 1.665851 -0.883928
H 1.139527 -0.975124 -0.325845
H 2.356385 3.163277 0.998932
H 0.667652 3.027724 1.660064
H -0.480242 -2.590323 0.273414
H -2.101581 -4.223646 0.360793
H -3.760210 -3.528752 0.376427
H -3.067015 -4.183416 1.876318
H -2.166667 3.229323 3.415033
H -3.414740 1.989855 3.702558
H -3.869075 3.510157 2.866988
H -1.088262 0.580335 -4.755221
H 0.675330 0.390055 -4.639301
H -0.400635 -0.737811 -3.736143
H 4.097839 -3.939892 1.401522
H 1.688787 6.158290 -2.545851
H 0.322023 5.005922 -2.719334
H 0.287598 6.210783 -1.400174
H 4.170797 -5.985668 -0.076024
H 0.352445 -4.733832 -1.756269
H 2.262027 -6.389502 -1.711067


