%chk=000230688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230688

0 1
S -3.929397 -0.633034 0.204731
O -4.377164 -0.449861 -1.163746
O -4.305825 -1.841330 0.926663
O 1.585408 2.031419 -0.586764
O -0.167960 2.334308 -1.803265
N 1.921694 -0.977833 -0.160461
N 0.486956 1.680119 -1.002578
C 2.776004 -0.400951 -1.241170
C 2.719275 -1.868826 0.741784
C 3.944444 0.404074 -0.654476
C 3.877079 -1.086352 1.381149
C 4.773566 -0.448567 0.311956
C 0.642566 -0.604277 0.143932
C -0.095352 0.458011 -0.484050
C -0.110845 -1.438234 1.055751
C -2.206489 -0.515051 0.251681
C -1.513405 0.401142 -0.506668
C -1.479946 -1.409181 1.081451
C -4.485775 0.746522 1.137144
H 2.182964 0.212302 -1.947827
H 3.161096 -1.262687 -1.838773
H 3.106911 -2.715015 0.128643
H 2.074103 -2.319337 1.531471
H 3.551093 1.305402 -0.131184
H 4.576514 0.793027 -1.475042
H 4.469003 -1.763691 2.025844
H 3.476071 -0.298155 2.050588
H 5.322050 -1.233339 -0.243719
H 5.548378 0.178007 0.795270
H 0.428769 -2.130877 1.704217
H -2.044024 1.138613 -1.132897
H -2.037429 -2.092101 1.739773
H -3.725511 1.191157 1.787705
H -4.865580 1.560112 0.501909
H -5.323442 0.483487 1.801657


%chk=000230688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230688

0 1
S -4.106148 -0.578303 0.056512
O -4.559012 0.079465 -1.370505
O -4.531705 -2.094358 0.511304
O 1.669299 2.080528 -0.615870
O -0.229553 2.486219 -1.804742
N 2.004185 -0.691447 0.102971
N 0.483632 1.742132 -1.018782
C 2.786842 -0.450783 -1.141129
C 2.739021 -1.497337 1.110593
C 4.141395 0.223858 -0.853611
C 4.104655 -0.847296 1.437918
C 4.947630 -0.610733 0.166356
C 0.625901 -0.548113 0.164656
C -0.124635 0.504132 -0.495165
C -0.156852 -1.523901 0.882060
C -2.223330 -0.507914 0.154715
C -1.541943 0.483916 -0.542171
C -1.553686 -1.513673 0.884489
C -4.722031 0.607288 1.431400
H 2.195778 0.137238 -1.854332
H 2.967658 -1.447584 -1.606062
H 2.897122 -2.532544 0.732191
H 2.142147 -1.555915 2.035185
H 3.956298 1.239192 -0.462913
H 4.698679 0.323012 -1.803928
H 4.640431 -1.503581 2.150055
H 3.922693 0.118956 1.945861
H 5.224175 -1.586961 -0.283823
H 5.891794 -0.097418 0.425190
H 0.355952 -2.350399 1.379262
H -2.064420 1.258850 -1.112237
H -2.130382 -2.302431 1.379920
H -4.321879 0.232803 2.383440
H -4.355814 1.610878 1.175569
H -5.818096 0.541225 1.386320


