%chk=000250571.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250571

0 1
S -0.693545 1.634323 -0.045548
O 0.276293 1.518033 -1.122032
O -1.095867 2.963055 0.375163
N 2.844252 0.356640 1.143598
N -0.028274 0.889104 1.386235
C 2.312209 1.747284 1.321373
C 0.975554 1.742561 2.082042
C 1.876951 -0.689625 1.031399
C 0.481858 -0.453187 1.204974
C 3.947231 0.318997 0.131749
C 3.455812 0.392459 -1.324082
C 2.311454 -2.021959 0.865781
C -0.420500 -1.522943 1.264260
C -2.082842 0.675126 -0.405990
C 1.398147 -3.074055 0.898216
C 0.035529 -2.831968 1.100087
C 4.606345 0.658582 -2.286900
C -2.019040 -0.292011 -1.414788
C -3.272872 0.882297 0.299039
C -3.146831 -1.062280 -1.712661
C -4.400769 0.111443 0.002039
C -4.335733 -0.860386 -1.002733
H 2.196474 2.272453 0.342318
H 3.078037 2.308763 1.902314
H 1.111340 1.342672 3.114494
H 0.574002 2.776881 2.192225
H 4.529595 -0.614458 0.298608
H 4.643652 1.156657 0.354012
H 2.671690 1.177206 -1.432700
H 2.939079 -0.549598 -1.595118
H 3.371144 -2.230225 0.725330
H -1.479237 -1.329325 1.439848
H 1.752882 -4.096334 0.770664
H -0.667250 -3.660159 1.137166
H 5.088757 1.622448 -2.087975
H 5.376650 -0.118177 -2.228134
H 4.247528 0.686201 -3.323467
H -1.088070 -0.443143 -1.974317
H -3.326347 1.651075 1.077672
H -3.099250 -1.816233 -2.497127
H -5.328619 0.270717 0.549549
H -5.216119 -1.461310 -1.235085


%chk=000250571-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250571

0 1
S -1.218179 1.298083 -0.416115
O -0.605749 0.816051 -1.873268
O -1.328547 2.913985 -0.063347
N 2.815670 0.433832 0.689427
N -0.014682 0.374660 1.364947
C 2.044474 1.699970 0.715268
C 0.834987 1.558429 1.658298
C 2.104320 -0.752442 0.622000
C 0.669591 -0.742824 0.908904
C 4.259240 0.513787 0.396428
C 4.588788 0.614127 -1.115947
C 2.721601 -2.007143 0.317202
C -0.069745 -1.966646 0.802371
C -2.976102 0.609595 -0.329633
C 1.962279 -3.182262 0.239878
C 0.553712 -3.170537 0.471530
C 6.109758 0.700383 -1.360769
C -3.284080 -0.509865 -1.121878
C -3.900874 1.241315 0.518844
C -4.599680 -1.025044 -1.051147
C -5.211168 0.711948 0.575978
C -5.556221 -0.419084 -0.202164
H 1.690504 1.959312 -0.303634
H 2.709441 2.509553 1.064982
H 1.159326 1.456982 2.714418
H 0.201636 2.463494 1.579471
H 4.773175 -0.359537 0.839377
H 4.655626 1.408440 0.914091
H 4.087024 1.505233 -1.539060
H 4.166751 -0.262747 -1.642329
H 3.792714 -2.054289 0.102582
H -1.141534 -1.918131 1.023960
H 2.462604 -4.123545 -0.014670
H -0.024465 -4.096952 0.401918
H 6.548557 1.586127 -0.863567
H 6.631175 -0.195713 -0.973708
H 6.332049 0.777633 -2.439693
H -2.525938 -0.936613 -1.787085
H -3.608903 2.128246 1.090192
H -4.875384 -1.891982 -1.661153
H -5.958852 1.184488 1.221927
H -6.573598 -0.822716 -0.153329


