%chk=000230648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230648

0 1
S -1.844987 3.277818 -0.469030
O 1.666773 -1.129679 0.984618
O 2.316849 -1.706834 -2.267881
O 2.320285 1.483909 -1.303378
O 3.629739 1.771380 1.845536
N -0.390655 -1.685853 -0.025156
N -2.502247 -2.447457 0.520198
N -0.956565 0.750587 -0.266420
N -3.344570 1.189054 0.105262
C 1.552576 -0.860927 -1.411276
C 1.074152 -1.702976 -0.187018
C 2.549590 0.164835 -0.810235
C 2.190933 0.201852 0.693455
C 3.379144 0.380089 1.643076
C -1.235105 -0.563540 -0.012452
C -1.229528 -2.800391 0.344225
C -2.557438 -1.056486 0.307547
C -3.605545 -0.110294 0.348035
C -2.043314 1.561004 -0.180157
C -0.063243 3.525321 -0.500973
H 0.729140 -0.363732 -1.966502
H 1.438320 -2.759748 -0.210362
H 3.598971 -0.136086 -1.023236
H 1.382922 0.947734 0.894587
H 4.297330 -0.119089 1.288556
H 3.131184 0.008465 2.660418
H 1.744808 -2.117267 -2.952274
H 2.589924 1.544789 -2.246944
H -0.822467 -3.798940 0.441272
H 3.787627 2.220177 0.984715
H -4.640269 -0.398377 0.575851
H 0.142345 4.450212 -1.053652
H 0.486129 2.701063 -0.993175
H 0.346195 3.618289 0.513070


%chk=000230648-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230648

0 1
S -1.976451 3.317714 -0.250559
O 1.668586 -1.086231 1.081216
O 2.052592 -1.598929 -2.448393
O 2.998745 1.282703 -1.374201
O 3.796702 2.005514 1.383607
N -0.424193 -1.674787 -0.009282
N -2.526520 -2.548910 0.371063
N -1.027419 0.732309 -0.147338
N -3.440634 1.108016 0.127669
C 1.543298 -0.790883 -1.343250
C 1.037914 -1.645459 -0.131787
C 2.712661 -0.001877 -0.734295
C 2.245619 0.241862 0.711359
C 3.365510 0.632641 1.677071
C -1.305122 -0.585608 0.010252
C -1.222768 -2.818212 0.231387
C -2.604582 -1.144767 0.236560
C -3.675934 -0.222678 0.281674
C -2.141966 1.522459 -0.073108
C -0.108807 3.505491 -0.365478
H 0.759364 -0.084359 -1.674730
H 1.379897 -2.691164 -0.231516
H 3.611737 -0.654743 -0.741172
H 1.449205 1.009882 0.719965
H 4.207811 -0.087362 1.600663
H 3.000221 0.643052 2.716404
H 1.307701 -1.892112 -3.030383
H 3.346910 1.120667 -2.287104
H -0.781487 -3.811935 0.290869
H 3.868810 2.108296 0.395045
H -4.713345 -0.533226 0.440479
H 0.061615 4.571740 -0.581482
H 0.294170 2.877602 -1.172180
H 0.359163 3.232199 0.591274


