%chk=000187624.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187624

0 1
S -0.337561 -1.330744 0.196714
O -1.603386 1.726292 2.414032
O -0.401582 -1.975863 1.495027
O 0.374210 -2.002772 -0.882897
O -5.718463 -0.129649 -1.758659
N 0.380410 0.212834 0.474582
C -0.145317 1.851310 2.289996
C 0.615050 0.597497 1.886420
C -1.066661 2.606819 1.375280
C 1.290432 0.876424 -0.505114
C 2.743384 0.442391 -0.341390
C 0.807927 0.666745 -1.941656
C -1.918109 -0.942701 -0.354661
C 3.678422 1.376764 0.130288
C 3.164532 -0.856385 -0.652878
C -2.816362 -0.277471 0.488765
C -2.311138 -1.324415 -1.648638
C 5.018639 1.013804 0.288467
C 4.505114 -1.217661 -0.492077
C -4.108369 0.017985 0.052906
C -3.590270 -1.043339 -2.110885
C 5.434508 -0.285010 -0.021500
C -4.476738 -0.374241 -1.243712
H 0.297178 2.377018 3.146176
H 0.302369 -0.234888 2.577375
H 1.703264 0.754117 2.084782
H -1.265743 3.662720 1.539147
H -1.250169 2.259148 0.359296
H 1.221412 1.981623 -0.280586
H -0.235994 0.969312 -2.073971
H 0.900376 -0.383782 -2.269181
H 1.416945 1.258037 -2.637196
H 3.366651 2.391124 0.370594
H 2.441038 -1.596672 -1.022083
H -2.507253 0.031506 1.502516
H -1.600829 -1.852131 -2.299745
H 5.739239 1.743108 0.652944
H 4.823088 -2.230926 -0.734079
H -4.803889 0.532820 0.708122
H -3.921616 -1.329604 -3.106750
H 6.477551 -0.568495 0.102986
H -6.316090 0.327353 -1.111955


%chk=000187624-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187624

0 1
S -0.407342 -1.391964 0.218175
O -1.517486 1.672696 2.606378
O -0.585601 -2.010938 1.719112
O 0.361968 -2.291806 -0.916517
O -5.902408 -0.252976 -2.012375
N 0.318393 0.396183 0.502631
C -0.005050 1.721751 2.583183
C 0.723143 0.558683 1.915668
C -0.789645 2.748359 1.827927
C 1.290133 0.919955 -0.524842
C 2.758672 0.499996 -0.353351
C 0.768180 0.711583 -1.963697
C -2.094907 -0.972395 -0.475459
C 3.732460 1.492670 -0.072721
C 3.175990 -0.851069 -0.483305
C -2.945661 -0.153487 0.287481
C -2.462128 -1.548777 -1.704744
C 5.097907 1.153112 0.069672
C 4.538615 -1.191035 -0.335136
C -4.235798 0.102889 -0.220881
C -3.753070 -1.287857 -2.202689
C 5.504380 -0.193880 -0.060036
C -4.634761 -0.466253 -1.458629
H 0.419552 2.006617 3.557050
H 0.473720 -0.370526 2.471091
H 1.817298 0.714327 2.008057
H -0.896997 3.761788 2.233181
H -0.879284 2.634927 0.741115
H 1.248151 2.014356 -0.325563
H -0.282166 1.044449 -2.046151
H 0.833895 -0.344752 -2.270475
H 1.381212 1.308401 -2.660793
H 3.421637 2.541417 0.028791
H 2.436003 -1.631912 -0.697196
H -2.610606 0.289676 1.233911
H -1.756530 -2.185499 -2.247393
H 5.836896 1.933603 0.283569
H 4.847224 -2.237846 -0.434895
H -4.923812 0.740655 0.348101
H -4.093818 -1.711983 -3.150891
H 6.560237 -0.464706 0.052866
H -6.462395 0.311569 -1.423418


