%chk=000243177.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243177

0 1
S -3.113984 -0.333250 0.186174
O 4.776795 -1.135251 0.644648
O 2.448202 2.735179 -0.201121
O -4.179273 -0.721411 -0.706626
O -3.363956 0.044388 1.563503
O -2.443909 4.190121 1.178048
O -3.337138 3.708798 -0.823207
N 2.870283 0.548058 -0.645316
N -2.361342 1.023421 -0.567350
C -0.340093 2.414831 -0.164829
C 0.589016 1.232881 0.121485
C -1.789552 2.097643 0.259906
C 4.328306 0.827657 -0.764338
C 2.585875 -0.887906 -0.407664
C 2.022422 1.590946 -0.217934
C 5.085447 0.263044 0.447668
C 3.369672 -1.389236 0.818326
C -2.621912 3.377421 0.089700
C -1.861580 -1.521487 0.164001
C -1.161475 -1.816340 1.338964
C -1.559867 -2.208186 -1.017500
C 0.157733 -3.468349 0.147712
C -0.151713 -2.778833 1.333218
C -0.550949 -3.170866 -1.030530
C 1.222224 -4.511625 0.129766
H 0.023909 3.318828 0.375151
H -0.296577 2.674589 -1.242994
H 0.541286 0.952757 1.194946
H 0.241124 0.341503 -0.446789
H -1.814027 1.812065 1.354406
H 4.692005 0.361764 -1.706861
H 4.491331 1.929161 -0.853864
H 1.495834 -1.071808 -0.291329
H 2.908299 -1.451103 -1.315735
H 4.855312 0.814602 1.375669
H 6.178009 0.236102 0.284786
H 3.027828 -0.916287 1.754686
H 3.338342 -2.488884 0.915767
H -2.710439 1.352220 -1.480951
H -1.414092 -1.296759 2.272372
H -2.121073 -1.999443 -1.935220
H 0.380075 -3.010427 2.254686
H -0.323049 -3.705373 -1.951923
H -2.964127 5.038028 1.120021
H 0.795426 -5.505924 -0.083773
H 1.759271 -4.601998 1.083846
H 1.974101 -4.319962 -0.650399


%chk=000243177-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243177

0 1
S -3.137226 -0.278670 0.172225
O 5.103255 -1.072715 0.551979
O 2.436279 2.936805 -0.546968
O -4.386682 -0.667928 -0.792568
O -3.311762 0.129637 1.747359
O -2.417475 4.380007 1.025977
O -3.585047 3.557885 -0.808038
N 3.007496 0.695908 -0.325986
N -2.223531 1.120618 -0.714064
C -0.298203 2.593575 -0.111219
C 0.632398 1.380140 0.050190
C -1.774554 2.203649 0.195323
C 4.417084 0.969504 -0.689613
C 2.720317 -0.731812 -0.079781
C 2.084176 1.739386 -0.297835
C 5.357183 0.371733 0.371545
C 3.710351 -1.291250 0.965750
C -2.698587 3.418186 0.063694
C -1.876993 -1.676860 0.124939
C -1.165147 -1.961972 1.299029
C -1.724446 -2.402670 -1.068139
C -0.033453 -3.787234 0.081347
C -0.237886 -3.029378 1.263797
C -0.789966 -3.459826 -1.078000
C 0.953039 -4.940022 0.053703
H 0.004639 3.408879 0.567307
H -0.219862 2.984791 -1.140909
H 0.586658 1.003002 1.093323
H 0.264817 0.563998 -0.599967
H -1.849478 1.849360 1.245277
H 4.634617 0.512413 -1.676120
H 4.536714 2.063062 -0.769117
H 1.687917 -0.870590 0.275284
H 2.838564 -1.298354 -1.026972
H 5.221213 0.898496 1.340411
H 6.410519 0.444822 0.056206
H 3.527570 -0.807850 1.950940
H 3.599578 -2.384380 1.064702
H -2.926647 1.470345 -1.402682
H -1.354604 -1.386372 2.211108
H -2.326492 -2.162158 -1.950035
H 0.321027 -3.282898 2.171935
H -0.651269 -4.043638 -1.995336
H -3.018273 5.165334 0.909693
H 0.430842 -5.903879 -0.093983
H 1.524360 -5.011373 0.994526
H 1.674969 -4.834408 -0.777035


