%chk=000288125.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288125

0 1
S 2.785043 0.230700 -0.201164
O 2.968799 1.060670 0.988436
O 3.928417 -0.242709 -0.947786
O -0.628560 3.146915 -0.556495
O -2.111166 0.115715 -0.967802
O -1.271114 0.632045 3.057785
O -3.160638 -1.742422 -0.214983
N 1.895445 1.234940 -1.297497
N 0.648870 2.604732 1.259717
N -2.351237 1.501060 1.232475
C 1.698812 -1.045379 0.119865
C 1.718568 2.660609 -0.966937
C 0.823914 -0.966906 1.213212
C 1.648854 -2.163283 -0.725268
C -0.207464 -3.063039 0.556579
C -0.125351 -1.961830 1.428172
C 0.702871 -3.162561 -0.514921
C 0.456895 2.816200 -0.100929
C -0.459311 2.755524 2.213429
C -1.269812 -4.084996 0.748789
C -1.360962 1.510247 2.215177
C -3.224050 0.323831 1.097780
C -2.847418 -0.582687 -0.064490
C -1.609665 -0.574629 -2.168474
C -1.192092 0.573027 -3.060938
H 2.002616 1.080508 -2.304511
H 2.605233 3.100845 -0.448534
H 1.565106 3.264705 -1.892918
H 0.877187 -0.122209 1.911871
H 2.359179 -2.255200 -1.553981
H -0.809504 -1.872649 2.276280
H 0.665967 -4.025385 -1.177564
H -1.056220 3.670966 1.976593
H -0.049803 2.893482 3.243159
H 1.545116 2.236947 1.630646
H -2.245795 -3.678710 0.404947
H -1.404044 -4.360101 1.804435
H -1.095191 -5.011712 0.188930
H -2.241800 2.084555 0.382951
H -4.280162 0.663535 0.955496
H -3.207167 -0.282247 2.044898
H -2.420125 -1.199257 -2.578691
H -0.768281 -1.205604 -1.831612
H -0.760337 1.392437 -2.452042
H -2.042474 1.010656 -3.598376
H -0.442050 0.265763 -3.795610


%chk=000288125-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288125

0 1
S 2.855017 0.325663 -0.251242
O 3.095996 1.176895 1.133991
O 4.104700 -0.215597 -1.142157
O -0.709124 3.349793 -0.421115
O -2.300154 0.175625 -1.071881
O -1.334805 0.658243 3.223398
O -3.279498 -1.691431 -0.075640
N 1.839137 1.455443 -1.416719
N 0.646777 2.658976 1.340197
N -2.290765 1.563822 1.286833
C 1.683413 -1.095694 0.101199
C 1.659664 2.845090 -0.890645
C 0.839640 -1.017194 1.219609
C 1.692242 -2.178260 -0.792730
C -0.131576 -3.181122 0.540144
C -0.069353 -2.074156 1.429988
C 0.773454 -3.225371 -0.554670
C 0.425797 2.967198 0.019500
C -0.426831 2.775828 2.341255
C -1.170105 -4.263695 0.743073
C -1.390181 1.565164 2.332306
C -3.247655 0.471584 1.118742
C -2.943244 -0.484048 -0.041467
C -1.953122 -0.627578 -2.289488
C -1.195192 0.309305 -3.222473
H 2.439867 1.455516 -2.268087
H 2.562446 3.225784 -0.370085
H 1.464525 3.478052 -1.774235
H 0.880440 -0.180567 1.921166
H 2.399209 -2.211711 -1.627711
H -0.743522 -2.015376 2.291291
H 0.757882 -4.085450 -1.233384
H -0.990891 3.704170 2.138526
H 0.025605 2.829331 3.343044
H 1.563958 2.257151 1.598057
H -2.171176 -3.863203 0.492599
H -1.204770 -4.599091 1.794991
H -0.979175 -5.143410 0.105599
H -2.144818 2.248711 0.526975
H -4.264909 0.877175 0.951406
H -3.265234 -0.119578 2.048646
H -2.894927 -1.007893 -2.725658
H -1.342921 -1.489105 -1.964529
H -0.287057 0.691558 -2.725014
H -1.822652 1.168160 -3.515948
H -0.901017 -0.237607 -4.137557


