%chk=000232564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232564

0 1
S -0.419057 0.067189 0.412781
O -0.085850 0.481336 1.761741
O 0.174782 -1.137350 -0.141870
N -0.003169 1.368358 -0.640410
C 3.031262 0.657635 -0.028781
C 2.474473 1.931474 -0.674951
C 4.501436 0.434467 -0.407214
C 1.065166 2.294096 -0.179156
C 5.044604 -0.860289 0.214216
C 6.507473 -1.095442 -0.155307
C -2.136753 -0.028470 0.227698
C -2.697467 -1.085809 -0.496301
C -2.959138 0.939182 0.811647
C -4.084569 -1.171627 -0.643894
C -4.347609 0.854943 0.664272
C -4.908109 -0.199654 -0.064072
H 2.929751 0.714110 1.073741
H 2.429749 -0.225073 -0.335719
H 3.151475 2.783087 -0.459392
H 2.478656 1.825415 -1.776903
H 5.114243 1.294262 -0.075960
H 4.607235 0.392918 -1.508056
H 0.793875 3.310808 -0.550207
H 1.051645 2.357927 0.936446
H 4.937040 -0.822853 1.316139
H 4.430300 -1.721656 -0.116437
H 0.125775 1.124124 -1.631772
H 6.641139 -1.178970 -1.239615
H 7.148467 -0.278104 0.193240
H 6.883300 -2.021754 0.293584
H -2.050112 -1.851233 -0.941390
H -2.522885 1.759881 1.389415
H -4.522788 -1.994813 -1.206039
H -4.989759 1.607824 1.118599
H -5.990781 -0.266240 -0.178672


%chk=000232564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232564

0 1
S -0.395140 0.025607 0.344157
O -0.025530 0.563041 1.838846
O 0.184185 -1.387451 -0.242435
N 0.021875 1.443163 -0.836839
C 3.084937 0.720621 -0.018099
C 2.537126 1.994973 -0.700007
C 4.554712 0.429279 -0.397542
C 1.083049 2.359682 -0.324263
C 5.111053 -0.842675 0.282254
C 6.576203 -1.140427 -0.102985
C -2.275382 -0.049424 0.196885
C -2.822485 -1.040921 -0.631828
C -3.037623 0.861289 0.945314
C -4.232580 -1.110389 -0.723532
C -4.444879 0.774382 0.839963
C -5.037267 -0.203711 0.005334
H 3.000501 0.830733 1.081810
H 2.463826 -0.158248 -0.286329
H 3.179342 2.856988 -0.423908
H 2.616650 1.894841 -1.804052
H 5.189934 1.298241 -0.122895
H 4.637122 0.319978 -1.499928
H 0.819514 3.359071 -0.723182
H 0.966450 2.404939 0.776720
H 5.031360 -0.730574 1.382598
H 4.470948 -1.706822 0.013284
H 0.299479 0.958956 -1.714517
H 6.677042 -1.288157 -1.195129
H 7.240814 -0.303326 0.184229
H 6.948437 -2.053611 0.396909
H -2.168828 -1.742527 -1.160106
H -2.552067 1.593621 1.597660
H -4.696770 -1.872651 -1.357749
H -5.073806 1.465978 1.409961
H -6.128403 -0.264770 -0.069196


