%chk=000235200.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235200

0 1
S -3.873482 -0.741125 -0.367482
O -0.205760 -2.532165 1.801926
O -0.016018 -4.291625 0.430118
O 2.211129 -0.985684 -1.907670
O -2.776500 2.144743 0.294614
O -4.727813 2.648226 -0.683974
N 0.866185 -0.903335 -0.071720
C 0.028160 -2.019870 -0.535453
C -1.394152 -1.580279 -0.943830
C -2.132227 -0.834228 0.156227
C -0.052298 -3.094882 0.552223
C 1.944244 -0.447930 -0.848324
C 2.700960 0.694577 -0.249536
C -4.518419 0.604720 0.651771
C 4.093087 0.581534 -0.131894
C 2.047036 1.867391 0.150407
C 4.829200 1.641317 0.405283
C 2.790110 2.924812 0.681994
C 4.178712 2.810585 0.812826
C -4.104372 1.879629 0.002389
H 0.529382 -2.495839 -1.440550
H -1.957872 -2.483128 -1.270981
H -1.311868 -0.940927 -1.852644
H -2.054504 -1.352183 1.133583
H -1.723670 0.189217 0.299449
H 0.630579 -0.495952 0.830870
H -4.173201 0.536935 1.703639
H -5.629245 0.514719 0.673809
H 4.596169 -0.327515 -0.468035
H 0.967670 1.962520 0.037176
H -0.238267 -3.214040 2.526994
H 5.911378 1.556782 0.500477
H 2.287923 3.840174 0.992035
H 4.755162 3.636688 1.229226
H -2.453219 2.976839 -0.144245


%chk=000235200-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235200

0 1
S -3.709825 -0.404632 -0.799827
O 0.155911 -2.909464 2.149304
O -0.706148 -4.539159 0.732452
O 1.473746 -0.712038 -1.913675
O -1.414268 1.869586 0.282685
O -2.644664 3.043073 -1.309975
N 0.785416 -1.230259 0.238382
C 0.015450 -2.389352 -0.227242
C -1.352066 -1.971125 -0.870719
C -2.262142 -1.229595 0.121385
C -0.214314 -3.404135 0.883674
C 1.446681 -0.423667 -0.672856
C 2.124347 0.805300 -0.123757
C -3.736740 1.295443 0.056259
C 3.138153 1.401683 -0.916526
C 1.765650 1.404505 1.113921
C 3.801813 2.563107 -0.470465
C 2.429760 2.570108 1.557528
C 3.452512 3.148683 0.769995
C -2.599961 2.171980 -0.418472
H 0.591029 -2.893860 -1.028097
H -1.842323 -2.880040 -1.264059
H -1.110285 -1.317292 -1.726212
H -2.692594 -1.903558 0.881637
H -1.706133 -0.414288 0.611630
H 0.875724 -1.089702 1.245618
H -3.701127 1.141620 1.145100
H -4.695503 1.745982 -0.238389
H 3.378315 0.939491 -1.879527
H 0.953798 0.989937 1.723326
H -0.021246 -3.599328 2.843847
H 4.587053 3.013536 -1.087019
H 2.144417 3.029691 2.510098
H 3.966172 4.052322 1.115986
H -0.652411 2.396146 -0.085312


