%chk=000186779.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186779

0 1
S 2.343639 1.360060 -0.037469
S -0.765762 1.254084 -1.229802
S -2.937547 -0.632800 -0.561247
P 0.340806 1.375935 0.548851
O -0.002140 2.876323 1.138298
O -0.012467 0.321940 1.538468
O -4.360681 -0.642629 -0.986165
C 2.935664 -1.295941 -0.519984
C 2.887173 -0.272204 0.618884
C 3.163671 -2.691774 0.079213
C 4.033461 -0.959355 -1.533620
C -2.462272 1.157076 -0.625368
C -2.892632 -0.864982 1.243755
C 0.793360 4.041636 0.809343
C -3.450203 -2.239685 1.546811
C 0.652765 4.464727 -0.638841
H 1.950383 -1.307281 -1.054004
H 3.885652 -0.100436 1.064826
H 2.226915 -0.617540 1.445826
H 2.361132 -2.969844 0.772505
H 3.190074 -3.456070 -0.706346
H 4.111515 -2.756400 0.623968
H 5.024458 -0.917390 -1.069539
H 4.080134 -1.713943 -2.327829
H 3.854858 0.006128 -2.022251
H -3.112643 1.657839 -1.372748
H -2.648982 1.695540 0.316125
H -3.456916 -0.086008 1.784560
H -1.836864 -0.770356 1.592633
H 0.324741 4.779469 1.499158
H 1.844149 3.883003 1.115804
H -4.483390 -2.351297 1.181872
H -2.852000 -3.043743 1.099941
H -3.471890 -2.422541 2.630184
H 0.934874 5.518503 -0.766316
H 1.282091 3.887538 -1.328405
H -0.385727 4.369520 -0.990189


%chk=000186779-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186779

0 1
S 2.491514 1.238344 -0.425311
S -0.792715 0.698619 -1.782677
S -3.695399 -0.303612 -0.705832
P 0.355845 0.693119 0.235509
O -0.345726 2.030164 1.104567
O 0.273218 -0.651618 1.089694
O -5.123695 0.547206 -0.449314
C 3.569328 -1.443212 -0.544551
C 3.351552 -0.256803 0.412562
C 4.143226 -2.629560 0.272902
C 4.495273 -1.078710 -1.725130
C -2.505797 1.168893 -1.204783
C -3.026399 -0.586995 1.110311
C 0.265786 3.395749 1.100101
C -4.132449 -1.286472 1.899172
C -0.050905 4.184184 -0.172242
H 2.580291 -1.745854 -0.942126
H 4.305851 0.159754 0.782760
H 2.715229 -0.542915 1.268179
H 3.460239 -2.927839 1.089108
H 4.295115 -3.506580 -0.381993
H 5.123201 -2.369011 0.717285
H 5.501153 -0.792789 -1.360645
H 4.614725 -1.940091 -2.406679
H 4.087111 -0.234986 -2.311219
H -3.029469 1.623677 -2.060552
H -2.478333 1.858477 -0.346671
H -2.811624 0.423994 1.496692
H -2.093552 -1.166108 1.018024
H -0.192370 3.858254 1.989825
H 1.356246 3.297937 1.258518
H -5.072352 -0.709885 1.828989
H -4.318233 -2.312605 1.534394
H -3.840635 -1.351323 2.963459
H 0.322801 5.219202 -0.060186
H 0.430718 3.743566 -1.062663
H -1.139371 4.232932 -0.348574


