%chk=000218907.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218907

0 1
S -6.702519 0.081048 -1.644982
O -0.288625 -0.742112 0.007610
O 4.330971 -1.918474 -0.369284
N -5.055904 -0.406526 0.419391
N 1.311511 0.966767 -0.022902
C -6.202286 0.385049 0.965635
C -3.826396 0.428248 0.217337
C -5.510439 -1.071692 -0.811948
C -6.975352 1.093245 -0.153292
C -2.603190 -0.501019 0.199575
C -1.315862 0.311102 0.130585
C 1.008036 -0.342827 -0.063485
C 3.686045 0.328360 -0.218980
C 2.657860 1.310953 -0.100936
C 3.278418 -1.056439 -0.255521
C 1.949521 -1.413298 -0.179602
C 5.044074 0.744862 -0.294481
C 3.015321 2.695495 -0.061079
C 5.363892 2.081801 -0.254157
C 4.337451 3.061078 -0.136503
C 4.041259 -3.341542 -0.415724
H -3.865662 1.040293 -0.710629
H -3.738165 1.142304 1.065824
H -5.845596 1.102879 1.732257
H -6.864562 -0.336736 1.498930
H -4.690901 -1.321553 -1.510508
H -6.048357 -2.006037 -0.547913
H -8.055778 1.156619 0.059098
H -6.611007 2.118246 -0.336468
H -2.601409 -1.150355 1.100977
H -2.649423 -1.205330 -0.655937
H -1.105247 0.892329 1.044047
H -1.244676 0.962281 -0.757125
H 1.584302 -2.431747 -0.201567
H 5.815569 -0.022694 -0.384512
H 2.216364 3.431446 0.029025
H 6.399274 2.409358 -0.311307
H 4.621274 4.113901 -0.107191
H 5.047975 -3.769928 -0.505610
H 3.431793 -3.573340 -1.294329
H 3.557145 -3.657916 0.513083


%chk=000218907-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218907

0 1
S -6.534876 0.436191 -1.822522
O -0.258144 -0.917844 0.066508
O 4.462118 -1.912646 -0.371292
N -5.150686 -0.432596 0.424313
N 1.275145 0.877796 -0.018510
C -6.270450 0.391804 0.940764
C -3.850069 0.293478 0.336477
C -5.604376 -1.016774 -0.814702
C -6.755837 1.368602 -0.185864
C -2.650903 -0.673343 0.258892
C -1.332194 0.099956 0.183217
C 1.044611 -0.438405 -0.033672
C 3.702787 0.360582 -0.243908
C 2.602613 1.289764 -0.123773
C 3.376132 -1.050612 -0.252984
C 2.046799 -1.458949 -0.147968
C 5.038642 0.848863 -0.348434
C 2.886807 2.689928 -0.113041
C 5.288131 2.226635 -0.335117
C 4.205038 3.149693 -0.216938
C 4.188706 -3.355158 -0.388271
H -3.836425 0.984376 -0.539305
H -3.758092 0.912033 1.249116
H -5.955289 0.938395 1.845919
H -7.101749 -0.284080 1.212478
H -4.786361 -1.391532 -1.443696
H -6.369537 -1.787791 -0.645074
H -7.818143 1.631071 -0.060708
H -6.146655 2.286604 -0.219932
H -2.655007 -1.333396 1.144590
H -2.731031 -1.322689 -0.633142
H -1.148569 0.712667 1.085988
H -1.287703 0.771367 -0.694987
H 1.731710 -2.503387 -0.148486
H 5.855979 0.127526 -0.438947
H 2.041633 3.379187 -0.022401
H 6.314771 2.599658 -0.415901
H 4.408958 4.226374 -0.208124
H 5.174011 -3.832051 -0.488851
H 3.547525 -3.625828 -1.248411
H 3.706682 -3.677368 0.554099


