%chk=000181798.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181798

0 1
S -3.736046 -0.164463 0.899999
O 2.683575 -0.127495 1.084074
O 2.573964 2.030956 1.030021
N -1.102051 -0.299424 -0.773641
N 0.676915 -1.553254 0.218960
N 2.084816 0.931445 0.809424
C -1.899783 0.952395 -0.805755
C 0.127522 -0.329958 -0.081331
C -2.636852 1.223180 0.501372
C 0.805073 0.857734 0.233823
C 0.062633 -2.848637 -0.116402
H -2.608586 0.863172 -1.663104
H -1.229336 1.814518 -1.052786
H -1.689460 -1.138961 -0.706705
H -3.190652 2.179533 0.463119
H -1.925343 1.323144 1.352642
H 1.645037 -1.566953 0.623920
H 0.352528 1.823057 0.003198
H -0.058546 -2.981697 -1.207157
H -0.920947 -2.975108 0.372034
H 0.714866 -3.664896 0.246223
H -4.737126 0.078011 0.028173


%chk=000181798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181798

0 1
S -3.986554 -0.069172 0.943660
O 2.823082 -0.264270 1.003628
O 2.720232 2.030903 1.024128
N -1.116551 -0.309350 -0.579047
N 0.730189 -1.565553 0.178159
N 2.164040 0.880085 0.780715
C -1.917376 0.902823 -0.777586
C 0.156556 -0.341555 -0.030630
C -2.750556 1.292314 0.462889
C 0.852714 0.855482 0.284300
C 0.112036 -2.846728 -0.152299
H -2.591163 0.732506 -1.637882
H -1.252406 1.737914 -1.060076
H -1.651311 -1.180286 -0.561475
H -3.307305 2.228788 0.295179
H -2.109241 1.412600 1.350924
H 1.698779 -1.474575 0.568421
H 0.416068 1.842059 0.163734
H -0.151956 -2.916955 -1.226988
H -0.799417 -3.045695 0.449388
H 0.832146 -3.649224 0.069968
H -4.879804 0.174188 -0.089009