%chk=000180610.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180610

0 1
S -0.626175 -1.696517 0.541994
S -0.693425 2.830828 -0.739623
P 0.785621 2.042028 0.122935
P -2.122690 -0.744004 -0.576534
O 0.515202 0.596911 0.924746
O 1.353264 2.937340 1.350555
O 2.095700 1.596032 -0.775018
O -2.225569 0.814199 -0.072068
O -1.213858 -0.498549 -1.927541
O 1.776504 -2.640898 1.000194
O -3.355110 -1.551770 -0.623070
O 2.768531 -0.773848 1.837824
C 0.842940 -0.619689 0.299681
C 1.920052 -1.292815 1.156775
C 2.483505 2.425814 2.133033
C 2.192986 2.009900 -2.168072
C -3.132674 1.107528 1.031877
C -1.854038 0.260388 -2.997507
C 2.674494 -3.528207 1.750320
C 3.788134 2.773180 1.445940
C 1.696230 0.886002 -3.053591
C -4.588282 0.972839 0.630236
C -2.771297 -0.632824 -3.807269
C 2.234924 -3.593667 3.196005
H 1.155605 -0.546146 -0.772086
H 2.336990 2.990682 3.076167
H 2.373015 1.337477 2.326085
H 1.670415 2.966640 -2.355322
H 3.288841 2.162994 -2.263746
H -2.866255 0.490961 1.909118
H -2.854258 2.165800 1.233227
H -2.359640 1.156815 -2.587487
H -0.956819 0.586983 -3.573268
H 2.519676 -4.475915 1.200986
H 3.708694 -3.162747 1.629691
H 3.971793 2.141477 0.563208
H 3.799698 3.818167 1.109701
H 4.638076 2.630661 2.125158
H 2.120067 -0.082324 -2.754919
H 0.596044 0.774339 -3.026515
H 1.975845 1.054765 -4.101058
H -4.797510 1.507331 -0.305835
H -4.892813 -0.075661 0.471447
H -5.249256 1.387172 1.400401
H -2.286715 -1.590587 -4.046358
H -3.701059 -0.885052 -3.274225
H -3.058141 -0.158820 -4.752805
H 2.417373 -2.641329 3.715902
H 1.158566 -3.802301 3.278941
H 2.769197 -4.378179 3.744774


%chk=000180610-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180610

0 1
S -1.110697 -1.252860 1.406852
S -0.046543 3.441731 -1.282176
P 0.991244 2.389803 0.144217
P -2.653970 -0.959311 -0.288345
O 0.192405 1.102218 1.053534
O 1.505403 3.368962 1.443187
O 2.364682 1.466929 -0.403207
O -2.749623 0.735959 -0.593014
O -1.672076 -1.385708 -1.643378
O 2.029971 -1.906505 0.271050
O -4.009503 -1.743146 -0.016664
O 2.203599 -0.600881 2.203314
C 0.318458 -0.284947 0.623137
C 1.616543 -0.917694 1.146263
C 2.181104 2.787637 2.663506
C 2.880483 1.619866 -1.799341
C -3.229133 1.691413 0.454580
C -2.055696 -0.911193 -3.016531
C 3.210903 -2.727375 0.700129
C 3.700175 2.858129 2.516892
C 2.265596 0.564222 -2.720022
C -4.744580 1.623727 0.652329
C -3.328666 -1.588427 -3.527883
C 2.760335 -3.863460 1.621113
H 0.241398 -0.412214 -0.469166
H 1.808876 3.441479 3.469551
H 1.826563 1.754860 2.822933
H 2.668285 2.644849 -2.158030
H 3.969365 1.487413 -1.686601
H -2.671031 1.492253 1.389327
H -2.898071 2.661626 0.050627
H -2.148905 0.189161 -2.990358
H -1.173154 -1.196200 -3.613321
H 3.621283 -3.098899 -0.251836
H 3.935790 -2.059361 1.197391
H 4.049465 2.183084 1.717835
H 4.030000 3.887217 2.293023
H 4.170274 2.540392 3.466859
H 2.405666 -0.448491 -2.303560
H 1.186277 0.749258 -2.863855
H 2.755148 0.605630 -3.711383
H -5.273533 1.810296 -0.298020
H -5.062142 0.640326 1.040377
H -5.052105 2.400919 1.377139
H -3.226146 -2.686464 -3.508119
H -4.207237 -1.312409 -2.918485
H -3.521215 -1.271397 -4.570175
H 2.355318 -3.466853 2.567042
H 1.987682 -4.481462 1.133421
H 3.624132 -4.510703 1.860846


