%chk=000199212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199212

0 1
S -5.224444 -1.654553 0.140571
O 0.738097 4.837977 -1.508619
O -5.807658 -0.598394 -0.671714
O -5.537885 -3.041272 -0.156010
N 0.618766 2.423130 0.012225
N 2.835056 -0.199487 0.440815
N 1.567282 -2.011262 -0.185120
N 4.047140 -2.225890 -0.288842
C 1.050749 1.498308 1.116874
C 1.704765 2.647034 -0.996275
C 0.176794 3.733368 0.599105
C 1.483676 0.177338 0.590164
C 1.177653 3.593087 -2.087976
C -0.311108 4.643032 -0.540620
C 0.736192 -0.947753 0.194520
C 2.842239 -1.586923 -0.050523
C -0.722108 -1.116085 0.163010
C 4.029976 0.479724 0.667433
C -1.556240 -0.054361 -0.221586
C -1.283834 -2.358763 0.510211
C -3.499511 -1.453302 0.148136
C -2.941852 -0.229529 -0.229556
C -2.669473 -2.523564 0.494079
C 5.198906 -0.190436 0.417173
C 5.162850 -1.550529 -0.062862
C -5.684823 -1.353037 1.811968
H 0.152772 1.339372 1.769246
H 1.837778 1.936426 1.772959
H 1.962213 1.666574 -1.455057
H 2.631274 3.066600 -0.552065
H 0.981001 4.248045 1.167631
H -0.658554 3.538984 1.305191
H 1.975059 3.919136 -2.778539
H 0.342261 3.141487 -2.652712
H -1.199608 4.225720 -1.047357
H -0.513643 5.672169 -0.195444
H 3.985734 1.509873 1.031657
H -1.122543 0.900913 -0.536728
H -0.630015 -3.196275 0.766078
H -3.590964 0.594194 -0.549124
H -3.101561 -3.500052 0.738004
H 6.164214 0.287819 0.574576
H 6.109845 -2.076135 -0.259254
H -6.171185 -2.226636 2.270967
H -4.853110 -1.087880 2.471633
H -6.413874 -0.533691 1.897655


%chk=000199212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199212

0 1
S -5.350978 -1.605064 0.118279
O 0.737089 4.911181 -1.648719
O -5.972996 -0.245039 -0.550281
O -5.663114 -3.098692 -0.474032
N 0.703950 2.506673 -0.027743
N 2.874658 -0.206335 0.474334
N 1.570830 -2.042575 -0.004929
N 3.997879 -2.335452 -0.063102
C 1.163973 1.592816 1.055996
C 1.720953 2.702900 -1.094612
C 0.256706 3.815762 0.523290
C 1.546274 0.219501 0.580035
C 1.153534 3.610179 -2.197676
C -0.283741 4.703294 -0.610388
C 0.769447 -0.931099 0.269111
C 2.848785 -1.626250 0.111438
C -0.698374 -1.059818 0.228738
C 4.088066 0.439505 0.639914
C -1.549735 0.073221 0.085810
C -1.267650 -2.363170 0.304805
C -3.468090 -1.388605 0.189794
C -2.951606 -0.089094 0.069675
C -2.665161 -2.538645 0.281293
C 5.254577 -0.295011 0.459837
C 5.166586 -1.684559 0.107771
C -5.903448 -1.618859 1.954483
H 0.328321 1.496869 1.775797
H 2.019022 2.041615 1.624471
H 1.984563 1.719920 -1.526370
H 2.652619 3.171035 -0.684575
H 1.095762 4.348766 1.036991
H -0.542039 3.637513 1.269169
H 1.920700 3.839720 -2.954712
H 0.287797 3.110981 -2.682970
H -1.185467 4.232268 -1.057590
H -0.538994 5.708727 -0.237992
H 4.075167 1.499450 0.904052
H -1.107596 1.065205 -0.073924
H -0.592476 -3.221756 0.366352
H -3.629841 0.758459 -0.077745
H -3.120670 -3.534386 0.300737
H 6.226229 0.187746 0.582529
H 6.076099 -2.276116 -0.037856
H -5.401677 -2.470156 2.434314
H -5.613336 -0.650982 2.385380
H -6.994300 -1.747143 1.916717


