%chk=000229358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229358

0 1
S -0.566945 -3.459424 0.153031
S 3.456105 -1.598183 0.669033
O -0.918613 -4.371500 1.223801
O -0.392479 -3.951352 -1.182784
O -3.760225 2.264727 -1.654842
N 1.030182 -2.955769 0.745510
N 2.278518 -0.199290 -1.157999
N 1.354823 -1.109616 -0.785766
N -4.036052 1.325970 0.437984
C 4.876795 1.510350 0.469105
C 4.627568 0.586941 -0.734148
C 6.078657 2.431253 0.218960
C 3.437049 -0.264742 -0.537541
C -1.536667 -2.068590 0.210789
C 6.338684 3.347447 1.412063
C 1.770128 -1.957535 0.176685
C -1.597717 -1.184102 -0.879174
C -2.305306 -1.806654 1.358139
C -3.182180 0.197682 0.317266
C -2.416676 -0.058658 -0.833499
C -3.123766 -0.689162 1.424828
C -4.277208 2.315081 -0.563140
C -5.223242 3.391192 -0.116573
H 5.044987 0.912081 1.385441
H 3.970495 2.117326 0.667732
H 4.490371 1.202231 -1.657054
H 5.523521 -0.040729 -0.934792
H 6.982705 1.826592 0.008313
H 5.904280 3.042221 -0.689116
H 7.195834 4.004927 1.226078
H 5.475529 3.988850 1.625376
H 6.555553 2.776801 2.322370
H 1.474477 -3.509799 1.492207
H -0.994699 -1.374306 -1.780639
H -2.265230 -2.499151 2.209096
H -2.450371 0.625357 -1.691411
H -3.713067 -0.503061 2.318555
H -4.520562 1.424510 1.334652
H -6.221173 3.003958 0.131058
H -5.362997 4.125503 -0.930508
H -4.849884 3.952228 0.751212


%chk=000229358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229358

0 1
S -0.389507 -2.824585 0.360581
S 3.726554 -1.267132 0.991161
O -0.768201 -4.052423 1.359856
O 0.192182 -3.084207 -1.128386
O -4.564864 2.602336 -1.282208
N 0.961033 -1.841441 1.422416
N 2.668905 0.409928 -0.803232
N 1.567234 -0.215417 -0.219250
N -5.188479 0.883784 0.193339
C 5.878516 1.411355 0.421342
C 5.167500 0.624567 -0.714695
C 7.227347 2.004252 -0.044196
C 3.848039 0.038756 -0.308943
C -1.827733 -1.627347 0.311086
C 7.942581 2.795138 1.071702
C 1.897132 -1.109801 0.727463
C -1.743008 -0.480072 -0.494439
C -2.954598 -1.961604 1.081204
C -4.026820 0.069367 0.205464
C -2.858623 0.379218 -0.548562
C -4.063237 -1.100017 1.017972
C -5.420070 2.071351 -0.519153
C -6.804588 2.676896 -0.306998
H 6.049137 0.742903 1.289153
H 5.212051 2.223166 0.772118
H 4.967996 1.299670 -1.566852
H 5.841403 -0.175779 -1.079025
H 7.884102 1.183776 -0.399038
H 7.054638 2.665922 -0.916978
H 8.905754 3.206508 0.718784
H 7.320844 3.641250 1.419434
H 8.150534 2.149716 1.945811
H 1.294581 -2.515408 2.128227
H -0.822823 -0.244350 -1.039026
H -2.961979 -2.867590 1.694672
H -2.837742 1.283600 -1.158105
H -4.961403 -1.337258 1.601136
H -5.960019 0.555699 0.778638
H -7.344336 2.682446 -1.269951
H -6.689476 3.727991 0.007104
H -7.419355 2.146440 0.440668


