%chk=000292545.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292545

0 1
S -1.492730 -1.736860 -0.663714
O -2.067036 -2.036513 -1.962330
O -1.318183 -2.773999 0.326897
N 0.068848 -1.123787 -1.110886
N -4.260450 2.890230 1.719283
C 1.134325 -0.826158 -0.231561
C 2.224422 0.003603 -0.712089
C 3.264156 0.342592 0.193011
C -2.280311 -0.394616 0.030775
C 1.140311 -1.293561 1.073362
C 2.295810 0.492280 -2.053185
C 3.224105 -0.132973 1.540226
C 2.189875 -0.934592 1.955274
C 4.347600 1.162805 -0.262336
C -3.078790 0.440011 -0.769414
C -2.152877 -0.118811 1.402107
C 3.344633 1.276329 -2.466449
C 4.385935 1.616328 -1.556356
C -3.728927 1.538579 -0.229441
C -2.789787 0.972409 1.972949
C -3.588730 1.816210 1.156698
H 0.271456 -1.005177 -2.114408
H 0.378215 -1.988811 1.436551
H 1.501278 0.234067 -2.754670
H 4.027106 0.142512 2.218177
H 2.159310 -1.319306 2.975454
H 5.139067 1.413662 0.441943
H -3.194784 0.215126 -1.837894
H -1.543284 -0.776879 2.034431
H 3.397669 1.646331 -3.488087
H 5.207858 2.238345 -1.908040
H -4.346018 2.173609 -0.857792
H -2.683272 1.174243 3.034634
H -4.742667 3.556384 1.142890
H -4.090333 3.163788 2.670589


%chk=000292545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292545

0 1
S -1.501457 -1.880271 -0.627090
O -2.131515 -2.222149 -2.089007
O -1.448343 -3.009291 0.547275
N 0.159260 -1.293985 -1.113398
N -4.170621 3.034072 1.682546
C 1.194713 -0.918201 -0.215648
C 2.203460 -0.001656 -0.712152
C 3.292649 0.372645 0.167287
C -2.296192 -0.358183 0.091606
C 1.253217 -1.384191 1.107509
C 2.165621 0.541311 -2.038124
C 3.314640 -0.112081 1.516901
C 2.304126 -0.957970 1.974497
C 4.317805 1.242080 -0.333941
C -2.781562 0.621236 -0.795125
C -2.431384 -0.257773 1.487740
C 3.177505 1.390980 -2.494579
C 4.270272 1.736114 -1.639248
C -3.410127 1.756291 -0.258984
C -3.058957 0.881353 2.019246
C -3.552485 1.907630 1.156237
H 0.373479 -1.663917 -2.047244
H 0.513438 -2.110267 1.458683
H 1.315289 0.309041 -2.687834
H 4.136483 0.187224 2.177269
H 2.324097 -1.335127 3.002879
H 5.144392 1.515601 0.332874
H -2.684234 0.487703 -1.877178
H -2.068424 -1.062180 2.134943
H 3.131433 1.803316 -3.508540
H 5.061446 2.397752 -2.008654
H -3.797749 2.530939 -0.930334
H -3.173134 0.981228 3.104551
H -4.526433 3.766979 1.075357
H -4.276908 3.151143 2.686280


