%chk=000279195.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279195

0 1
S 5.435459 -2.669696 1.281822
S -6.173181 -2.600855 0.178478
P -0.261000 1.313095 -0.318137
O -0.316420 1.314740 1.161657
O 5.350671 -2.624622 2.732834
O 5.592260 -3.950123 0.608153
O -7.013481 -2.700879 -1.006470
O -5.583322 -3.802924 0.743049
O 2.287238 6.516793 -3.795269
O 2.065309 7.440937 -1.849698
N 0.666708 0.014335 -1.045410
N -1.785132 1.178847 -1.174365
N 1.973100 6.500353 -2.617912
C 0.416213 2.860029 -1.078541
C 1.766842 -0.624901 -0.427066
C -2.818494 0.290480 -0.791160
C 4.039567 -1.882921 0.625733
C -4.899331 -1.478206 -0.172551
C 2.233323 -0.274832 0.857965
C -2.690580 -0.587937 0.305672
C 2.427233 -1.636951 -1.167553
C -3.998372 0.283005 -1.573520
C 0.801875 2.918732 -2.416711
C 0.536246 3.956461 -0.227202
C 3.358183 -0.914886 1.371264
C -3.728624 -1.471665 0.592443
C 3.549208 -2.258476 -0.629676
C -5.021152 -0.606844 -1.259978
C 6.763330 -1.612630 0.773850
C -7.093816 -1.781183 1.447780
C 1.315162 4.115658 -2.927205
C 1.048637 5.160260 -0.729132
C 1.428564 5.222806 -2.074630
C 8.079001 -2.184773 1.276360
C -8.265334 -2.656708 1.862729
H 0.328312 -0.429244 -1.917097
H -2.015936 1.833789 -1.938823
H 1.707230 0.451370 1.486361
H -1.811978 -0.582556 0.956256
H 2.058248 -1.941052 -2.143099
H -4.109041 0.955485 -2.419402
H 0.727726 2.054064 -3.080773
H 0.246587 3.901574 0.831832
H 3.703438 -0.661377 2.382078
H -3.615312 -2.174794 1.427528
H 4.047920 -3.057291 -1.193912
H -5.927311 -0.631165 -1.880114
H 6.633392 -0.581649 1.156641
H 6.799158 -1.503248 -0.327500
H -7.465778 -0.793650 1.110577
H -6.464020 -1.557169 2.331468
H 1.629763 4.197091 -3.973925
H 1.155480 6.041014 -0.084849
H 8.101274 -2.258440 2.374764
H 8.268460 -3.192128 0.874234
H 8.927052 -1.554784 0.978996
H -8.947349 -2.856161 1.021834
H -7.931591 -3.629658 2.255893
H -8.859515 -2.178543 2.652231


%chk=000279195-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000279195

0 1
S 5.695397 -2.453383 1.327909
S -6.357365 -2.710708 0.055292
P -0.348827 1.422704 -0.067082
O -0.416472 1.619428 1.518433
O 5.883635 -2.035030 2.902071
O 5.709942 -4.015763 0.828793
O -7.164121 -2.840677 -1.367551
O -5.699205 -4.008638 0.809434
O 2.672552 6.195654 -3.927818
O 2.462379 7.340990 -1.965447
N 0.438195 -0.051450 -0.606929
N -1.851200 1.266576 -0.963923
N 2.309047 6.289513 -2.694331
C 0.457176 2.877753 -0.907629
C 1.656737 -0.591844 -0.127625
C -2.902245 0.355776 -0.680820
C 4.084536 -1.681121 0.720207
C -4.982238 -1.443853 -0.206825
C 2.335935 -0.028440 0.989910
C -2.819045 -0.552619 0.412326
C 2.198730 -1.732190 -0.786761
C -4.043374 0.343969 -1.531352
C 0.882947 2.812241 -2.254892
C 0.649361 4.047225 -0.135071
C 3.561309 -0.578416 1.415238
C -3.864799 -1.467999 0.643875
C 3.418259 -2.289200 -0.356787
C -5.093559 -0.563824 -1.295920
C 7.108154 -1.542358 0.337337
C -7.588879 -1.889397 1.326682
C 1.490896 3.935725 -2.850421
C 1.261054 5.175276 -0.718514
C 1.664638 5.097983 -2.068500
C 8.446125 -2.119887 0.787042
C -8.723454 -2.874769 1.586498
H -0.076255 -0.600528 -1.300415
H -2.059680 2.012436 -1.632263
H 1.885565 0.797686 1.549069
H -1.959665 -0.527874 1.089980
H 1.661637 -2.184907 -1.628735
H -4.100590 1.033545 -2.381883
H 0.764632 1.888010 -2.830821
H 0.327891 4.055478 0.912030
H 4.080461 -0.188217 2.297332
H -3.803249 -2.200121 1.456135
H 3.831937 -3.189323 -0.824109
H -5.963952 -0.618903 -1.958648
H 6.964737 -0.479834 0.591187
H 6.859613 -1.741641 -0.717448
H -7.900793 -0.958881 0.825939
H -6.958545 -1.681619 2.206149
H 1.833926 3.928109 -3.888082
H 1.428919 6.097297 -0.156120
H 8.602320 -1.959444 1.867613
H 8.500078 -3.202102 0.577943
H 9.265971 -1.619220 0.239666
H -9.271697 -3.102629 0.656332
H -8.338886 -3.817417 2.012210
H -9.434499 -2.433154 2.308888


