%chk=000279487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279487

0 1
S -0.006167 -0.002407 2.613295
P 0.352125 0.131940 0.712034
O 0.276363 -2.756795 -1.367369
O -0.636423 -3.197339 0.654617
C -0.792198 -0.956841 -0.374621
C 0.055653 1.813854 0.007530
C 2.082039 -0.326267 0.255604
C -2.194297 -0.637595 0.057233
C -0.421364 -2.399049 -0.219432
C 0.864565 2.325782 -1.007986
C 3.059166 -0.176931 1.240703
C -0.995129 2.560956 0.541986
C 2.410366 -0.791785 -1.019622
C -2.944562 0.274746 -0.704982
C -2.761801 -1.218705 1.201916
C 0.607052 3.607181 -1.506821
C 4.392591 -0.484121 0.936240
C -1.248384 3.842899 0.035862
C 3.742229 -1.097508 -1.316291
C -4.245483 0.604431 -0.318919
C -4.063836 -0.881694 1.581665
C -0.449511 4.363376 -0.985615
C 4.732839 -0.940463 -0.339216
C -4.807475 0.028581 0.825294
C 0.788585 -4.113877 -1.426476
H -0.641223 -0.656212 -1.449638
H 1.702751 1.761000 -1.422175
H 2.816818 0.166267 2.255009
H -1.628687 2.176258 1.351328
H 1.653576 -0.950378 -1.793677
H -2.517353 0.731263 -1.595744
H -2.187498 -1.934925 1.803040
H 1.232070 4.018917 -2.297035
H 5.160986 -0.370358 1.699801
H -2.066098 4.434014 0.445786
H 4.008385 -1.462157 -2.306625
H -4.823029 1.311118 -0.911920
H -4.495416 -1.330963 2.475653
H -0.646036 5.362084 -1.375379
H 5.770086 -1.179225 -0.574089
H -5.820534 0.288556 1.125512
H 1.715768 -4.155181 -0.846280
H 0.964003 -4.266335 -2.495710
H 0.050387 -4.820711 -1.029887


%chk=000279487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279487

0 1
S 0.147224 -0.007545 2.842869
P 0.448017 0.140942 0.774148
O 0.261464 -2.895303 -1.319975
O -0.614541 -3.170897 0.823127
C -0.749661 -0.973290 -0.327675
C 0.067364 1.856749 0.113561
C 2.192975 -0.299356 0.246720
C -2.195761 -0.639675 -0.011443
C -0.389707 -2.438523 -0.163029
C 0.559744 2.298912 -1.137535
C 3.197027 -0.281479 1.242996
C -0.747976 2.700025 0.901646
C 2.521137 -0.634689 -1.090177
C -2.930426 0.161571 -0.923590
C -2.821638 -1.090167 1.180635
C 0.225955 3.591618 -1.601899
C 4.533801 -0.580841 0.899091
C -1.080914 3.989533 0.430438
C 3.859952 -0.936781 -1.426780
C -4.275875 0.498264 -0.660252
C -4.167896 -0.751013 1.439509
C -0.597387 4.436180 -0.821165
C 4.868461 -0.904906 -0.436248
C -4.899401 0.040060 0.523653
C 0.697737 -4.313265 -1.279659
H -0.507815 -0.669939 -1.359960
H 1.219391 1.664364 -1.739348
H 2.914441 -0.049810 2.276944
H -1.099530 2.340304 1.876145
H 1.749966 -0.702296 -1.864094
H -2.447349 0.521696 -1.840345
H -2.254076 -1.699158 1.889036
H 0.613942 3.939253 -2.565754
H 5.308990 -0.565290 1.672746
H -1.714306 4.642484 1.040599
H 4.111314 -1.201727 -2.459634
H -4.833770 1.113931 -1.374561
H -4.644595 -1.103284 2.360932
H -0.853088 5.438360 -1.183206
H 5.905400 -1.139572 -0.701583
H -5.944298 0.298568 0.730043
H 1.435515 -4.458434 -0.472968
H 1.145026 -4.498357 -2.266170
H -0.168932 -4.971812 -1.103187


