%chk=000183668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183668

0 1
S -3.381304 -3.464089 -0.392661
S -3.582005 3.342081 0.205024
P 2.597250 0.085014 0.215770
O 2.015570 -1.127153 -0.779862
O 1.947982 1.438849 -0.522535
O 2.281360 -0.069734 1.650948
C 4.349674 0.196117 -0.395159
C 5.040815 -1.104176 -0.009596
C 4.971582 1.425524 0.252054
C 0.727251 -1.606597 -0.586095
C 0.631865 1.796469 -0.269122
C 0.224199 -1.983206 0.666210
C 0.063417 1.815720 1.010921
C -0.004029 -1.769622 -1.774491
C -0.064822 2.225713 -1.412035
C -1.057645 -2.537036 0.720543
C -1.251073 2.273242 1.140274
C -1.281595 -2.324466 -1.698458
C -1.372645 2.684791 -1.260144
C -1.797708 -2.699260 -0.453485
C -1.955581 2.699159 0.011649
C -4.437391 -2.133892 0.234206
C -4.613567 1.874761 -0.043576
H 4.354241 0.311641 -1.510832
H 6.091372 -1.090023 -0.336584
H 5.066505 -1.279692 1.076785
H 4.582981 -1.986666 -0.482732
H 6.019810 1.534933 -0.064186
H 4.992793 1.376788 1.351566
H 4.464543 2.360092 -0.033848
H 0.806676 -1.848976 1.583535
H 0.619809 1.482825 1.893786
H 0.434547 -1.469726 -2.723785
H 0.424869 2.200508 -2.383033
H -1.469143 -2.844847 1.684241
H -1.716201 2.298920 2.128465
H -1.869518 -2.462097 -2.608285
H -1.932566 3.029747 -2.131683
H -4.127161 -1.804176 1.230900
H -5.459707 -2.528417 0.302509
H -4.442746 -1.270561 -0.438757
H -4.475849 1.447389 -1.041908
H -5.661204 2.186383 0.059280
H -4.405950 1.103147 0.704486


%chk=000183668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183668

0 1
S -3.420695 -3.962052 -0.375891
S -3.644547 3.846583 0.227417
P 2.595791 0.074825 0.234896
O 2.007041 -1.247949 -0.761671
O 1.921730 1.512047 -0.515188
O 2.317405 -0.076811 1.797808
C 4.366282 0.192658 -0.375666
C 5.114072 -1.109098 -0.012731
C 5.020726 1.457647 0.221925
C 0.726308 -1.849759 -0.608659
C 0.609791 2.011665 -0.284030
C 0.218691 -2.229012 0.656667
C -0.024856 1.939893 0.978783
C 0.008304 -2.106480 -1.796289
C -0.013255 2.637598 -1.385785
C -1.040436 -2.864696 0.719316
C -1.316925 2.492196 1.119711
C -1.250767 -2.741079 -1.717328
C -1.302633 3.190117 -1.226412
C -1.782780 -3.112378 -0.459707
C -1.962883 3.108832 0.022661
C -4.477132 -2.531544 0.276364
C -4.694015 2.295335 -0.060191
H 4.270108 0.289380 -1.471798
H 6.152695 -1.039177 -0.382859
H 5.150156 -1.256422 1.081657
H 4.641395 -1.994154 -0.471194
H 6.058242 1.532691 -0.150244
H 5.055719 1.405597 1.324929
H 4.480484 2.374221 -0.069364
H 0.796727 -2.028197 1.563414
H 0.480891 1.462593 1.823678
H 0.435086 -1.804445 -2.757164
H 0.512173 2.682678 -2.344168
H -1.439321 -3.182443 1.688541
H -1.819843 2.455684 2.091696
H -1.824182 -2.941583 -2.627845
H -1.798341 3.681195 -2.069864
H -4.097525 -2.198899 1.254442
H -5.498879 -2.928373 0.386061
H -4.468629 -1.699050 -0.443898
H -4.527000 1.911925 -1.078315
H -5.743981 2.606473 0.059612
H -4.441490 1.527169 0.686985


