%chk=000236075.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236075

0 1
S -1.026281 -2.125041 -0.098192
O 2.423842 3.515926 -0.414861
O 0.522409 3.510981 1.007519
O -1.562267 -3.239073 0.660441
O -0.417002 -2.347643 -1.391839
N 0.179935 -1.414227 0.910343
C 1.922414 -0.175446 -0.316457
C 0.792326 -0.169836 0.524998
C 2.527129 -1.443267 -0.849539
C 2.540083 1.049865 -0.692201
C 0.236419 1.043979 1.031750
C 1.999032 2.210814 -0.197274
C 0.858021 2.207671 0.658032
C 3.395591 -2.136250 0.212812
C 0.088158 -1.665471 2.368772
C -2.252923 -0.912151 -0.255525
C 1.509199 4.370616 0.347001
C 4.063156 -3.390655 -0.344114
C -2.130978 0.087828 -1.224624
C -3.374198 -0.948545 0.579403
C -3.122602 1.066505 -1.346650
C -4.366584 0.028036 0.459199
C -4.237882 1.036721 -0.502890
H 1.724910 -2.139321 -1.198805
H 3.129446 -1.240602 -1.757300
H 3.414503 1.056554 -1.339511
H -0.633760 1.040402 1.681794
H 4.163127 -1.432657 0.588396
H 2.765116 -2.401803 1.085603
H -0.651754 -1.028149 2.878257
H 1.071744 -1.494462 2.840349
H -0.181892 -2.727043 2.539768
H 2.092236 4.876394 1.127784
H 0.973911 5.010788 -0.365987
H 3.319703 -4.112687 -0.705074
H 4.727231 -3.159694 -1.184217
H 4.662538 -3.893811 0.422344
H -1.264579 0.104595 -1.894944
H -3.482038 -1.748671 1.320625
H -3.026212 1.848011 -2.099022
H -5.240177 0.000869 1.108595
H -5.011650 1.799854 -0.596961


%chk=000236075-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236075

0 1
S -1.022506 -2.028770 -0.460836
O 2.690136 3.489594 -0.571217
O 0.847231 3.586981 0.966909
O -1.557499 -3.495323 0.029434
O -0.358721 -1.789207 -1.936346
N 0.458936 -1.414462 0.989656
C 2.120703 -0.229191 -0.333260
C 1.007043 -0.175154 0.587481
C 2.721577 -1.552385 -0.771920
C 2.725292 0.980882 -0.768958
C 0.507259 1.089940 1.065252
C 2.222074 2.190936 -0.285925
C 1.136985 2.241106 0.618962
C 3.652084 -2.155789 0.319220
C -0.300450 -1.485763 2.260689
C -2.501216 -0.839720 -0.343214
C 1.769281 4.415868 0.149729
C 4.290228 -3.483224 -0.140147
C -2.468015 0.336240 -1.112726
C -3.568228 -1.190286 0.502037
C -3.573736 1.213205 -1.019658
C -4.665082 -0.300415 0.580871
C -4.663455 0.897297 -0.173323
H 1.927214 -2.278877 -1.005811
H 3.304533 -1.399467 -1.700712
H 3.572646 0.960308 -1.459381
H -0.336244 1.146706 1.757182
H 4.443934 -1.424721 0.578760
H 3.050120 -2.322653 1.232366
H -1.090076 -0.717047 2.405807
H 0.426767 -1.392637 3.088917
H -0.763366 -2.485683 2.318966
H 2.365321 5.060352 0.815787
H 1.184851 4.984842 -0.594991
H 3.511859 -4.231158 -0.379643
H 4.907807 -3.338163 -1.046924
H 4.939680 -3.908671 0.646944
H -1.622663 0.537118 -1.778614
H -3.552018 -2.141008 1.045393
H -3.584970 2.134905 -1.610908
H -5.518507 -0.547087 1.221302
H -5.517406 1.580486 -0.109352


