%chk=000195441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195441

0 1
S 2.603465 2.091321 2.292484
S 3.495720 -0.588337 -0.728704
O -0.841955 1.330678 1.194553
O 0.422546 1.951279 -0.593901
O 1.547245 0.742045 2.287885
O 2.451986 0.470961 0.308527
O -4.530385 0.398279 1.069741
O 4.066810 1.450205 2.009510
O 2.788250 -0.443418 -2.023811
O 2.203764 2.921546 1.181152
O 2.581904 2.545400 3.637802
O 4.672829 0.222279 -0.500461
O 3.383955 -1.895196 -0.132596
O -3.291440 2.247112 0.473947
N -0.155524 -1.514943 0.110280
N 0.134925 -0.346937 -1.953077
N -2.111370 -0.297441 -2.465304
N -2.442784 -2.380749 -0.000062
N -0.689412 -3.744886 0.800736
N -0.486881 -0.684524 -4.270353
N -5.590343 2.363998 0.776515
C -0.528556 -0.274408 -0.603544
C 0.101045 0.902961 0.247378
C -2.041850 -0.095035 -0.974196
C 1.302372 0.192729 1.014957
C 0.865813 -1.274665 1.175814
C -2.989740 -1.032338 -0.191320
C -1.166703 -2.523038 0.296293
C -0.779321 -0.454150 -2.940357
C -3.335948 -0.424775 1.188707
C -4.359640 1.736552 0.764529
H -2.329879 0.991514 -0.797051
H 0.465374 -1.440650 2.202598
H 1.721566 -1.988704 1.032801
H -3.954512 -1.163667 -0.760756
H -2.821441 -0.954078 -2.801651
H -3.687468 -1.202111 1.899181
H -2.503619 0.162081 1.633643
H -1.302101 2.174175 0.893314
H 1.246302 2.476845 -0.245773
H 0.266750 -4.001162 0.574754
H -1.341122 -4.524253 0.754295
H 0.482124 -0.578790 -4.572504
H -1.179577 -0.445022 -4.971163
H 4.330373 1.241752 1.041241
H 1.224008 -0.299855 -2.060316
H -6.408905 1.892272 1.132082
H -5.627951 3.372141 0.707982


%chk=000195441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195441

0 1
S 3.015297 2.359334 1.863708
S 3.454431 -1.183115 -0.561339
O -0.878888 1.307389 1.499464
O 0.170286 2.187274 -0.455915
O 1.856999 0.867080 2.180205
O 2.166994 0.261963 -0.106407
O -4.713081 0.230948 0.881464
O 4.543279 1.640210 1.449682
O 3.105243 -1.169059 -2.148182
O 2.373668 3.231774 0.654168
O 3.195007 3.025348 3.296596
O 4.803172 -0.373288 -0.089941
O 3.118233 -2.550610 0.244948
O -3.384313 2.180980 1.065699
N -0.359328 -1.285504 0.341913
N 0.147313 -0.234216 -1.803484
N -1.963382 -0.136331 -2.487451
N -2.357452 -2.434824 -0.334102
N -0.514604 -3.631300 0.523762
N -0.232510 -0.460590 -4.143186
N -5.711291 2.261536 1.031801
C -0.598896 -0.122988 -0.511044
C -0.031525 1.060925 0.371713
C -2.086095 0.010686 -1.007833
C 1.247758 0.317935 0.991130
C 0.635740 -1.042972 1.417967
C -3.001359 -1.098262 -0.400587
C -1.125529 -2.445668 0.163347
C -0.662953 -0.284026 -2.865508
C -3.539551 -0.689950 0.997615
C -4.508548 1.605861 1.005291
H -2.471844 1.017823 -0.776590
H 0.146815 -0.919674 2.399088
H 1.414970 -1.818042 1.469102
H -3.891526 -1.205341 -1.052340
H -2.763808 -0.352700 -3.077433
H -3.958782 -1.583664 1.483417
H -2.760646 -0.229143 1.630923
H -1.710048 1.824144 1.256625
H 0.953708 2.731891 -0.115054
H 0.502768 -3.708326 0.535960
H -1.079619 -4.476896 0.482767
H 0.756395 -0.637132 -4.317101
H -0.863630 -0.390832 -4.936727
H 4.539787 0.832041 0.741094
H 1.178245 -0.200234 -1.805519
H -6.584471 1.739221 1.020134
H -5.711734 3.275318 1.111959


