%chk=000257297.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257297

0 1
S -3.646311 0.101506 0.140453
S -3.164009 -2.697550 1.273001
O 1.198317 -0.155270 2.554165
O 0.153795 1.064173 -1.984174
O 3.458313 3.145070 0.362140
O -5.290248 -1.402033 1.540756
N 2.315067 1.465388 1.453517
N 1.782109 2.077216 -0.805878
C 0.518580 0.146254 0.239170
C 0.890257 -1.285061 -0.222200
C 2.373351 -1.448151 -0.566371
C -0.973015 0.242521 0.664049
C 2.692123 -2.888150 -1.033396
C 1.332639 0.435205 1.508888
C 0.762206 1.094460 -0.937197
C -1.946203 -0.172374 -0.426564
C 4.090644 -2.931563 -1.662178
C 2.594986 -3.884203 0.127100
C 2.594686 2.297652 0.339101
C -4.071437 -1.370571 1.020498
C -6.207075 -0.277295 1.377864
H 0.267430 -1.556672 -1.101030
H 0.604498 -2.002525 0.579982
H 3.008794 -1.201090 0.305869
H 2.662203 -0.737545 -1.365107
H -1.186227 1.277549 1.005660
H -1.114711 -0.407173 1.564552
H 1.947586 -3.181349 -1.815736
H -1.822574 0.431900 -1.357736
H -1.799084 -1.232427 -0.730763
H 4.165632 -2.269281 -2.531040
H 4.338574 -3.943377 -2.003181
H 4.867586 -2.633100 -0.949816
H 2.803735 -4.906300 -0.208152
H 3.309954 -3.652431 0.924528
H 1.595941 -3.887576 0.577461
H 2.879275 1.630849 2.304735
H 1.956696 2.693726 -1.618103
H -7.092444 -0.642357 1.917586
H -5.799383 0.617526 1.857914
H -6.433154 -0.122168 0.318336


%chk=000257297-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257297

0 1
S -3.676999 0.162829 0.128590
S -2.922160 -2.692566 1.240741
O 1.387616 -0.210887 2.469778
O 0.402917 0.928745 -2.164909
O 3.072998 3.639698 0.492091
O -5.228754 -1.456187 1.667124
N 2.192013 1.695148 1.447474
N 1.685821 2.259782 -0.787780
C 0.621458 0.184181 0.168692
C 0.938471 -1.289102 -0.251767
C 2.433273 -1.548239 -0.543399
C -0.898326 0.331305 0.596091
C 2.718977 -2.975592 -1.085801
C 1.424158 0.514508 1.443897
C 0.889429 1.123142 -1.018475
C -1.909624 -0.122691 -0.469473
C 4.204141 -3.100484 -1.500116
C 2.345004 -4.073851 -0.060550
C 2.366632 2.606849 0.393378
C -3.987026 -1.401163 1.076083
C -6.205336 -0.342421 1.531255
H 0.349742 -1.517334 -1.158544
H 0.581275 -1.941562 0.564023
H 3.032102 -1.395821 0.378671
H 2.796602 -0.814293 -1.293431
H -1.096920 1.385636 0.871594
H -1.023845 -0.285347 1.504788
H 2.094313 -3.121907 -1.993194
H -1.830972 0.444349 -1.409325
H -1.836477 -1.203093 -0.674383
H 4.477130 -2.343502 -2.259434
H 4.416441 -4.099299 -1.923942
H 4.867782 -2.958229 -0.625010
H 2.596469 -5.076330 -0.453582
H 2.903410 -3.930879 0.884907
H 1.266704 -4.072274 0.179782
H 2.691393 1.918297 2.315141
H 1.820556 2.897969 -1.579442
H -7.080037 -0.684512 2.100584
H -5.794301 0.585196 1.966538
H -6.466951 -0.186663 0.470036


