%chk=000291566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291566

0 1
S -4.075449 -0.515303 -1.337864
S 4.079137 -0.529197 1.331577
O -1.481196 -0.774034 -2.682198
O 1.485882 -0.825585 2.670072
O -4.250500 -1.929321 -1.598271
O -4.341797 0.455582 -2.376432
O 4.259218 -1.947791 1.561924
O 4.342105 0.420372 2.390514
N -2.478940 -0.273927 -0.745595
N 2.481748 -0.280973 0.744536
C 0.022237 -0.162614 -0.773971
C -0.019800 -0.179159 0.775210
C 0.640327 1.135447 -1.334701
C -0.642490 1.104475 1.363383
C 0.267906 2.373266 -0.582212
C -0.274425 2.359333 0.637440
C -1.357575 -0.384668 -1.363574
C 1.360816 -0.408774 1.360004
C -0.337413 -1.030185 -3.524946
C 0.343045 -1.103657 3.507131
C -4.986246 -0.090402 0.077283
C 4.988335 -0.071139 -0.074224
C -5.304728 1.247500 0.324853
C 5.302007 1.272843 -0.293379
C -5.408388 -1.090660 0.957369
C 5.414014 -1.051002 -0.975300
C -6.042008 1.588876 1.463417
C 6.037998 1.640911 -1.424436
C -6.146061 -0.751236 2.095847
C 6.150405 -0.684885 -2.106312
C -6.460725 0.588782 2.347671
C 6.460250 0.661287 -2.329675
H 0.669713 -1.024257 -1.100706
H -0.664189 -1.049854 1.083534
H 0.379963 1.250202 -2.408650
H 1.753294 1.033412 -1.295328
H -0.382553 1.197263 2.439557
H -1.755086 0.999366 1.321747
H 0.502167 3.306128 -1.094860
H -0.511915 3.280244 1.169830
H 0.270966 -1.838158 -3.110143
H -0.819174 -1.345695 -4.463353
H 0.236461 -0.108511 -3.671023
H 0.825953 -1.437285 4.438657
H -0.234122 -0.187350 3.672703
H -0.262447 -1.904816 3.075242
H -4.988414 2.028032 -0.375391
H 4.982933 2.037221 0.423240
H -5.172096 -2.140602 0.750324
H 5.181494 -2.105935 -0.790558
H -6.293875 2.630145 1.656728
H 6.286120 2.686939 -1.595632
H -6.479562 -1.529016 2.780510
H 6.486654 -1.446782 -2.807296
H -7.037832 0.854025 3.234061
H 7.036356 0.947322 -3.210232


%chk=000291566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291566

0 1
S -4.150708 -0.426414 -1.386322
S 4.157885 -0.434370 1.381177
O -1.570770 -0.424874 -2.662867
O 1.580422 -0.470245 2.662126
O -4.191000 -2.016945 -1.743646
O -4.584528 0.702194 -2.474303
O 4.204733 -2.030938 1.709908
O 4.590091 0.676332 2.487988
N -2.461516 0.016068 -0.539237
N 2.465211 0.017790 0.546313
C -0.006966 0.129335 -0.771905
C 0.010238 0.111271 0.784602
C 0.599882 1.438759 -1.375119
C -0.606478 1.401289 1.419309
C 0.247478 2.683762 -0.590985
C -0.271467 2.667074 0.660915
C -1.412650 -0.115766 -1.319148
C 1.418355 -0.136093 1.324926
C -0.493069 -1.069910 -3.443711
C 0.509745 -1.142227 3.429902
C -5.217947 -0.166496 0.150875
C 5.220345 -0.143636 -0.153862
C -5.717438 1.122387 0.394245
C 5.715487 1.150869 -0.375224
C -5.501973 -1.282571 0.952562
C 5.505373 -1.244271 -0.976287
C -6.544541 1.300863 1.527744
C 6.539033 1.352199 -1.507501
C -6.332799 -1.084713 2.080477
C 6.332528 -1.023623 -2.102656
C -6.845538 0.202417 2.367991
C 6.840838 0.269958 -2.368212
H 0.624889 -0.713067 -1.118383
H -0.614442 -0.744338 1.111348
H 0.268016 1.561175 -2.424415
H 1.700013 1.316720 -1.390840
H -0.269564 1.503977 2.469179
H -1.705272 1.268276 1.438800
H 0.457302 3.643864 -1.080315
H -0.494645 3.613674 1.170247
H -0.261232 -2.065109 -3.025551
H -0.922233 -1.178715 -4.449385
H 0.414352 -0.443519 -3.486910
H 0.938812 -1.263535 4.434182
H -0.405553 -0.528147 3.482699
H 0.291266 -2.132650 2.993635
H -5.486614 1.945328 -0.289666
H 5.484083 1.960629 0.324055
H -5.107970 -2.268557 0.685743
H 5.114974 -2.236057 -0.726229
H -6.954988 2.291730 1.748479
H 6.946093 2.348062 -1.711366
H -6.581643 -1.933363 2.726289
H 6.582082 -1.859706 -2.764385
H -7.490479 0.347473 3.241598
H 7.482993 0.432584 -3.240780


