%chk=000210045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210045

0 1
S -4.526269 1.250582 -0.617875
O -4.031652 2.617608 -0.649914
O -5.220278 0.711284 -1.776577
O 3.398823 2.805674 0.080574
O 5.121702 2.704140 -1.549210
O 0.065943 -3.326790 1.330760
N 1.313554 -2.122137 -0.159438
C -5.598336 1.040190 0.793832
C -3.167951 0.199373 -0.279381
C -6.887110 1.806968 0.519801
C -4.897113 1.533686 2.051607
C 3.555831 -2.103567 0.952596
C 4.019014 -0.847333 0.269464
C 2.553838 -2.892009 0.088808
C -3.239868 -1.155566 -0.606707
C -2.007849 0.730163 0.287827
C -0.998921 -1.464688 0.243509
C -2.155081 -1.997365 -0.338286
C -0.916246 -0.102492 0.555555
C 3.391944 0.382561 0.609666
C 3.839909 1.498159 -0.057313
C 0.148672 -2.389269 0.555727
C 5.032196 -0.902617 -0.689308
C 4.875428 1.434966 -1.038198
C 5.489036 0.249604 -1.371310
C 4.196752 3.604847 -0.857428
H -5.855628 -0.041657 0.923315
H -7.609267 1.673670 1.335751
H -6.714287 2.889124 0.423336
H -7.379337 1.465899 -0.404345
H -5.579278 1.514005 2.913612
H -4.555286 2.575974 1.951115
H -4.032087 0.915349 2.321131
H 4.421267 -2.757242 1.191139
H 3.097735 -1.872655 1.938136
H 2.292243 -3.851294 0.600792
H 3.007251 -3.152718 -0.893884
H -4.136195 -1.562933 -1.087417
H -1.944103 1.802133 0.510826
H -2.209148 -3.061525 -0.574985
H -0.013757 0.309531 1.006249
H 2.613211 0.434307 1.363477
H 1.407640 -1.287391 -0.732441
H 5.497794 -1.857882 -0.929990
H 6.279912 0.194220 -2.114132
H 4.792304 4.315777 -0.269812
H 3.512048 4.027036 -1.604854


%chk=000210045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210045

0 1
S -4.787022 0.883077 -0.724786
O -4.268844 2.243127 -1.484105
O -5.933970 -0.091960 -1.376405
O 3.043546 2.749909 0.463838
O 4.876132 2.992792 -1.067810
O 0.072978 -3.774629 0.815138
N 1.415114 -2.256948 -0.335660
C -5.451908 1.419171 1.088228
C -3.250187 -0.185757 -0.413800
C -6.879798 1.912330 0.862222
C -4.465433 2.439420 1.646324
C 3.645506 -2.274792 0.835372
C 4.040678 -0.890568 0.339937
C 2.663826 -3.003227 -0.131499
C -3.423368 -1.561728 -0.185432
C -1.993754 0.436428 -0.477999
C -0.977635 -1.759514 -0.044688
C -2.268371 -2.346527 0.012175
C -0.847215 -0.366252 -0.287659
C 3.286962 0.253176 0.748902
C 3.658752 1.493794 0.226182
C 0.203778 -2.675869 0.187085
C 5.121117 -0.730948 -0.566404
C 4.735100 1.636787 -0.674879
C 5.489625 0.538465 -1.092389
C 3.923351 3.745555 -0.209178
H -5.421788 0.445656 1.609365
H -7.362553 2.084060 1.842675
H -6.887622 2.863354 0.301104
H -7.474186 1.167860 0.304834
H -4.851940 2.827896 2.607410
H -4.356780 3.289330 0.948960
H -3.468824 2.002639 1.833336
H 4.541832 -2.914823 0.942966
H 3.166547 -2.211265 1.829377
H 2.383196 -3.985343 0.285698
H 3.155528 -3.162777 -1.109814
H -4.425291 -2.003519 -0.194862
H -1.922987 1.507889 -0.693531
H -2.338310 -3.419893 0.214064
H 0.136951 0.116821 -0.303887
H 2.463761 0.162297 1.463872
H 1.460364 -1.396111 -0.882360
H 5.700243 -1.612271 -0.865095
H 6.325492 0.652482 -1.787058
H 4.491399 4.300291 0.560782
H 3.305005 4.397815 -0.844747


