%chk=000281394.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281394

0 1
S 4.655508 -1.850716 -0.347197
S 8.473991 0.262700 -1.151925
O -4.358863 2.589592 -1.692001
O 4.810704 -2.220475 1.030181
O 4.628150 -2.817490 -1.406975
O -1.514927 3.361615 1.411514
N -3.845682 0.881788 -0.216288
N 5.887258 -0.650893 -0.733246
N -1.158817 1.536720 -0.620041
N 0.013784 1.826734 -0.910082
N 7.751212 -2.165007 -0.503810
C -5.148795 -1.056363 0.564470
C -5.084341 0.154546 -0.228147
C -6.370786 -1.778199 0.580162
C -2.152943 2.623534 -0.790602
C -6.179456 0.585565 -0.948822
C -4.046756 -1.557582 1.326310
C -7.491330 -1.306166 -0.174957
C 3.283461 -0.802827 -0.502197
C -6.465968 -2.978564 1.355784
C -3.564865 2.017820 -0.968020
C -7.390482 -0.157596 -0.916491
C -4.162909 -2.711221 2.061114
C -5.390980 -3.432601 2.076949
C 2.620808 -0.701809 -1.730718
C 2.815041 -0.098712 0.613140
C 1.054444 0.840328 -0.740762
C 1.502952 0.122146 -1.862963
C 1.698713 0.730057 0.504185
C -2.164221 3.591669 0.425943
C -3.020203 4.794877 0.230560
C 7.228994 -0.971481 -0.756127
C 9.717365 -0.944320 -0.950859
C 9.157684 -2.140762 -0.616078
H -3.085658 0.460705 0.342474
H -1.958196 3.245939 -1.715169
H -6.140688 1.496356 -1.556490
H -3.100896 -1.012417 1.319860
H -8.417967 -1.876674 -0.147819
H -7.410617 -3.521564 1.358919
H -8.236637 0.211069 -1.497693
H -3.322466 -3.091767 2.640293
H -5.456895 -4.345090 2.668637
H 2.972051 -1.281097 -2.595112
H 3.317409 -0.205969 1.583723
H 0.984892 0.204736 -2.818331
H 1.327820 1.283093 1.369511
H 5.645204 0.321928 -0.952027
H -3.388466 5.185354 1.193808
H -3.901908 4.615016 -0.410385
H -2.453086 5.614895 -0.238890
H 10.755470 -0.703820 -1.088020
H 9.677993 -3.077699 -0.426295


%chk=000281394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281394

0 1
S 4.179565 -2.053379 -0.970587
S 7.952066 0.019121 0.610931
O -4.850348 2.980906 -1.172741
O 3.769866 -3.094080 0.197848
O 4.600679 -2.558757 -2.447603
O -1.284644 3.940718 0.863624
N -3.794896 1.074688 -0.247473
N 5.434399 -0.833990 -0.330808
N -1.389958 1.831957 -0.899953
N -0.361947 1.955093 -1.676003
N 7.186207 -2.455218 -0.120461
C -4.555770 -1.086576 0.634467
C -4.877430 0.232797 0.122949
C -5.649107 -1.946947 1.042268
C -2.395110 2.898632 -1.077974
C -6.213564 0.650430 0.010771
C -3.216262 -1.590571 0.751604
C -7.001728 -1.487298 0.922721
C 2.777018 -0.790229 -1.154032
C -5.358048 -3.253969 1.556320
C -3.823089 2.317238 -0.842583
C -7.270478 -0.217475 0.412519
C -2.965074 -2.870667 1.253116
C -4.044600 -3.712026 1.663794
C 2.634695 -0.142625 -2.392698
C 1.918552 -0.598637 -0.055625
C 0.676250 0.982531 -1.447940
C 1.570134 0.773003 -2.528960
C 0.851241 0.306847 -0.207906
C -2.128020 4.067168 -0.052634
C -2.937631 5.321381 -0.299829
C 6.719587 -1.227177 -0.015322
C 9.123114 -1.359201 0.691384
C 8.529558 -2.533329 0.273080
H -2.832595 0.737442 -0.095571
H -2.366026 3.342258 -2.093035
H -6.433076 1.642654 -0.387390
H -2.354509 -0.989318 0.437901
H -7.816752 -2.149758 1.235281
H -6.195094 -3.892575 1.862271
H -8.303905 0.131889 0.317054
H -1.934940 -3.235443 1.327361
H -3.835352 -4.712796 2.055888
H 3.320792 -0.360148 -3.217369
H 2.079139 -1.151837 0.875631
H 1.410777 1.323909 -3.460663
H 0.166862 0.520909 0.618512
H 5.102199 0.126694 -0.223888
H -2.896382 5.975943 0.584401
H -3.980462 5.070633 -0.563385
H -2.508684 5.864296 -1.165126
H 10.138503 -1.183883 1.038343
H 9.029382 -3.501329 0.230517


