%chk=000271405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271405

0 1
S 1.494308 -1.102126 -0.413060
O 1.583431 -1.943042 -1.579872
O 1.983170 -1.623313 0.869921
N 2.327331 0.344731 -0.682979
N 3.884685 2.071669 -0.333666
N 4.237024 -0.024975 0.767918
N -5.222898 1.073394 0.457285
C -0.146909 -0.569014 -0.206551
C -0.857527 -0.062224 -1.296713
C -0.744827 -0.658403 1.053445
C -2.178819 0.366091 -1.131251
C -2.064530 -0.235784 1.232818
C -2.775828 0.277657 0.135901
C 3.432976 0.746483 -0.092544
C -4.132579 0.718268 0.313849
H -0.388541 0.000281 -2.285289
H -0.180900 -1.064997 1.903557
H -2.739067 0.762829 -1.978760
H -2.537365 -0.304777 2.213147
H 4.886113 2.210950 -0.395801
H 3.385576 2.558665 -1.077821
H 3.808002 -0.869128 1.185337
H 4.891773 0.436866 1.383131


%chk=000271405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271405

0 1
S 1.553129 -0.929820 -0.434172
O 1.675192 -1.671224 -1.877003
O 2.002887 -1.753227 0.935162
N 2.306308 0.753350 -0.473312
N 4.268054 1.975998 -0.326479
N 4.246260 -0.132431 0.730206
N -5.464771 0.865182 0.438724
C -0.250477 -0.441060 -0.201964
C -1.028725 -0.247895 -1.353954
C -0.749324 -0.333934 1.105233
C -2.386056 0.092848 -1.184499
C -2.108184 0.003287 1.268479
C -2.926598 0.224764 0.125356
C 3.585483 0.812277 -0.017703
C -4.313995 0.573820 0.296205
H -0.587659 -0.379798 -2.346790
H -0.098825 -0.532525 1.962460
H -3.028344 0.255114 -2.054965
H -2.539056 0.094300 2.269846
H 5.008080 2.325281 0.279650
H 3.819689 2.617464 -0.977842
H 3.700760 -0.944599 1.069177
H 5.260772 -0.117070 0.810186


