%chk=000237007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237007

0 1
S -1.150001 -0.607299 -0.027991
O 5.864630 -0.655922 -1.078520
O 5.852656 -0.697002 1.083700
N 5.311445 -0.529476 0.002367
N -3.119007 1.199908 -0.008640
N -5.483095 0.669507 -0.030109
N -6.229051 -1.561060 -0.005254
C 1.192980 0.581348 0.000441
C -0.244356 0.973245 -0.000157
C 1.880194 0.419894 -1.216396
C 1.866295 0.372702 1.217870
C 3.884918 -0.145724 0.001714
C 3.225085 0.056689 -1.221029
C 3.211119 0.009259 1.223781
C -2.840099 -0.133126 -0.026066
C -3.815654 -1.127513 -0.044225
C -5.166087 -0.683434 -0.038137
C -4.445539 1.543210 -0.010677
H -0.538696 1.571519 0.888930
H -0.530975 1.598398 -0.872987
H 1.358886 0.574323 -2.162653
H 1.334117 0.490397 2.163426
H 3.771687 -0.072750 -2.162032
H 3.746944 -0.156712 2.165264
H -3.564704 -2.182344 -0.053443
H -4.689280 2.618631 0.000686
H -7.173614 -1.209911 -0.071174
H -6.088398 -2.545456 -0.141990


%chk=000237007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000237007

0 1
S -1.476954 -0.502081 1.903423
O 4.525921 -0.397138 -2.441200
O 5.623627 -0.707943 -0.465741
N 4.568570 -0.408201 -1.149692
N -2.470221 0.970657 -0.221878
N -4.471187 0.398803 -1.488159
N -5.712258 -1.521748 -1.011969
C 0.990997 0.610731 0.996517
C -0.269045 0.973827 1.742087
C 1.001808 0.610123 -0.425734
C 2.180204 0.274265 1.696710
C 3.334062 -0.056274 -0.408814
C 2.169003 0.277987 -1.136128
C 3.358236 -0.062318 1.002839
C -2.649876 -0.147131 0.545497
C -3.718254 -1.043480 0.345234
C -4.629269 -0.732018 -0.706741
C -3.403540 1.178748 -1.197346
H -0.074805 1.277735 2.781942
H -0.854909 1.743784 1.212627
H 0.081625 0.871585 -0.958749
H 2.181263 0.275438 2.792640
H 2.199593 0.274168 -2.228808
H 4.283352 -0.323663 1.523164
H -3.843203 -1.933633 0.968244
H -3.271761 2.074574 -1.812434
H -6.315123 -1.228630 -1.778681
H -5.915457 -2.376867 -0.502152


