%chk=000179947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179947

0 1
S -0.106687 2.634226 1.049396
P 0.298440 0.949760 -0.073481
O -0.233041 -0.292418 0.894785
O 1.912589 0.856177 0.262117
O -0.132079 0.939381 -1.484967
C -0.410963 3.977470 -0.234306
C -1.601225 -0.584766 0.835033
C 2.598929 -0.227261 -0.311687
C -2.305790 -0.486372 2.053858
C 2.903199 -1.327687 0.516534
C -2.186379 -1.050316 -0.343279
C 3.046196 -0.119672 -1.628991
C -3.538084 -1.430520 -0.320145
C 3.834465 -1.153804 -2.159491
C -1.653794 3.650768 -1.026691
C -0.533887 5.225429 0.615557
C -3.650266 -0.878402 2.047350
C 3.694487 -2.341672 -0.038673
C -4.261241 -1.342348 0.878858
C 4.153944 -2.258970 -1.356382
C -1.642062 0.023107 3.286392
C 2.387444 -1.397885 1.910994
C -4.183732 -1.933260 -1.569473
C 4.322166 -1.061125 -3.568228
H 0.487247 4.032969 -0.893535
H -1.611712 -1.113179 -1.270161
H 2.785822 0.748077 -2.233099
H -1.958336 4.500471 -1.653534
H -1.503582 2.798782 -1.716126
H -2.514757 3.400470 -0.392599
H -0.682004 6.112834 -0.017148
H 0.365057 5.413813 1.220075
H -1.388648 5.186638 1.305814
H -4.229550 -0.818539 2.968352
H 3.954297 -3.209959 0.566179
H -5.307854 -1.638233 0.904208
H 4.765064 -3.063734 -1.759936
H -0.563362 -0.201718 3.286116
H -1.736590 1.118099 3.356346
H -2.067336 -0.407797 4.200585
H 1.296688 -1.583687 1.913410
H 2.859553 -2.189277 2.502926
H 2.541470 -0.444159 2.439862
H -3.977761 -1.271818 -2.424082
H -3.799927 -2.929731 -1.835208
H -5.274044 -2.017812 -1.481700
H 4.873814 -1.954160 -3.887792
H 3.485845 -0.929150 -4.270853
H 4.993974 -0.200336 -3.699280


%chk=000179947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179947

0 1
S 0.191255 3.010116 1.117363
P 0.535369 1.160300 -0.139928
O -0.175141 -0.222950 0.685513
O 2.187825 0.838953 0.278131
O 0.143982 1.308400 -1.679073
C -0.960442 3.940822 -0.142085
C -1.575052 -0.499817 0.616480
C 2.876526 -0.321392 -0.215872
C -2.257356 -0.633407 1.854848
C 3.311919 -1.270075 0.743551
C -2.206058 -0.700317 -0.628589
C 3.155711 -0.431302 -1.591172
C -3.578987 -1.049293 -0.679783
C 3.910114 -1.530798 -2.072487
C -2.419605 3.501443 0.040506
C -0.728749 5.442120 0.099699
C -3.625452 -0.989813 1.783065
C 4.072288 -2.355374 0.245220
C -4.278459 -1.190452 0.544750
C 4.364783 -2.488450 -1.131959
C -1.545596 -0.405529 3.172104
C 2.964320 -1.120228 2.208914
C -4.262849 -1.287494 -2.015099
C 4.230727 -1.658005 -3.551732
H -0.581872 3.636547 -1.133742
H -1.626295 -0.578634 -1.550157
H 2.785204 0.336759 -2.279101
H -3.060474 4.049709 -0.677445
H -2.548941 2.421254 -0.146215
H -2.777454 3.723873 1.061619
H -1.352460 6.020552 -0.607987
H 0.326531 5.721590 -0.058654
H -1.020783 5.738183 1.123824
H -4.188516 -1.104862 2.716890
H 4.431934 -3.113435 0.951040
H -5.340935 -1.460482 0.530653
H 4.950834 -3.347344 -1.479514
H -0.709507 -1.117147 3.303076
H -1.107038 0.608317 3.218858
H -2.240301 -0.525624 4.020613
H 1.868231 -1.071029 2.345624
H 3.356488 -1.968138 2.795641
H 3.377850 -0.183898 2.625710
H -4.018396 -0.491914 -2.742032
H -3.938560 -2.246685 -2.462405
H -5.360364 -1.325688 -1.905141
H 4.667852 -2.644124 -3.784879
H 3.325459 -1.530548 -4.172972
H 4.956434 -0.885985 -3.871769


