%chk=000190730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190730

0 1
S -5.407588 0.596127 -0.270108
O -3.059870 -2.435159 -0.398035
O 1.194010 -0.550163 -0.120974
N 0.437601 1.643638 0.004188
N 2.754219 1.167824 0.051747
N -5.027652 -1.101824 -0.374110
C -2.887861 -0.029860 -0.226182
C -0.969421 1.390922 -0.061873
C -3.731062 1.103790 -0.177124
C -1.502365 0.095479 -0.169654
C -1.817296 2.529016 -0.012661
C -3.201987 2.386497 -0.070349
C -3.717074 -1.250998 -0.339076
C 1.442330 0.636018 -0.030482
C 3.956053 0.384027 0.038974
C 5.173040 1.092726 0.131033
C 3.951176 -1.016700 -0.059202
C 6.375211 0.384562 0.123389
C 5.167207 -1.702089 -0.064767
C 6.379365 -1.010593 0.025882
C -3.892672 -3.630592 -0.509253
H -0.863022 -0.796990 -0.209114
H -1.389892 3.526808 0.070954
H -3.850175 3.261454 -0.032393
H 0.706035 2.624747 0.080950
H 2.888656 2.176539 0.126635
H 5.187231 2.176048 0.207383
H 3.008899 -1.570499 -0.130740
H 7.317976 0.926913 0.194236
H 5.166115 -2.790070 -0.140934
H 7.320586 -1.554860 0.020602
H -4.543664 -3.712114 0.367088
H -3.134817 -4.421270 -0.537116
H -4.480792 -3.588454 -1.431613


%chk=000190730-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190730

0 1
S -5.525947 0.718793 -0.275691
O -3.225552 -2.458840 -0.402409
O 1.228330 -0.742177 -0.134011
N 0.465782 1.484446 -0.002555
N 2.756937 1.047225 0.050028
N -5.147524 -1.066204 -0.381027
C -2.966845 -0.032082 -0.232185
C -0.942215 1.291723 -0.068138
C -3.760949 1.146543 -0.181893
C -1.555942 0.022366 -0.176890
C -1.748546 2.473470 -0.017847
C -3.151925 2.413260 -0.073967
C -3.817163 -1.215914 -0.342231
C 1.467856 0.495504 -0.036791
C 4.004535 0.358439 0.041748
C 5.178685 1.153988 0.146571
C 4.121067 -1.053339 -0.065427
C 6.451885 0.550421 0.144578
C 5.404663 -1.640611 -0.065763
C 6.574592 -0.854355 0.038157
C -4.146799 -3.612301 -0.507367
H -0.956313 -0.887901 -0.217478
H -1.262222 3.454119 0.066763
H -3.743788 3.332368 -0.033697
H 0.758974 2.460320 0.074638
H 2.837884 2.063359 0.128548
H 5.094759 2.246159 0.229199
H 3.218978 -1.661552 -0.145538
H 7.346153 1.178031 0.225962
H 5.486065 -2.730254 -0.148584
H 7.563062 -1.325234 0.036530
H -4.816500 -3.646523 0.369100
H -3.487035 -4.490447 -0.541342
H -4.756444 -3.531901 -1.423690


