%chk=000276719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276719

0 1
S -2.246837 -0.386762 1.164941
S -3.503873 4.422550 -0.956127
F -4.959350 4.560798 -0.357419
O -2.251111 -0.914661 2.498579
O -3.278657 -0.762182 0.226301
O 0.714728 0.588982 1.501105
O -3.010800 5.765795 -0.951120
O -3.702259 3.660823 -2.149863
N -0.716269 -0.879647 0.454900
N -0.666731 -1.751506 -0.665925
N 2.784366 -0.593268 -0.733330
N 3.431519 0.207091 -0.013397
C 0.686358 -1.781872 -1.108882
C 0.591588 -0.245461 0.640866
C 1.439530 -0.847514 -0.402434
C -2.132973 1.331139 1.194540
C -1.426278 -2.996653 -0.560964
C 1.087908 -2.642890 -2.232817
C -2.786450 2.087608 0.215989
C -1.403357 1.974663 2.205756
C -0.913377 -4.105138 0.133676
C -2.668848 -3.049245 -1.207639
C -2.716989 3.482509 0.246843
C -1.332009 3.373241 2.236157
C -1.981777 4.124281 1.258615
C -1.651216 -5.289203 0.152855
C -3.392494 -4.245909 -1.177960
C -2.885683 -5.361436 -0.505615
C 4.806276 0.461862 -0.377764
C 5.313861 0.385383 -1.686889
C 5.630456 0.879954 0.685238
C 6.646859 0.726112 -1.926508
C 6.961620 1.210087 0.428852
C 7.470836 1.135024 -0.872986
H 0.825887 -3.702311 -2.078002
H 2.180416 -2.591463 -2.404511
H 0.604489 -2.327380 -3.175160
H -3.356647 1.578825 -0.581398
H -0.877066 1.383642 2.971794
H 0.037506 -4.037602 0.662339
H -3.078960 -2.156958 -1.692707
H -0.753264 3.868784 3.017901
H -1.914435 5.221215 1.274048
H -1.269103 -6.157004 0.690326
H -4.362826 -4.298529 -1.672921
H -3.457669 -6.289255 -0.483680
H 4.669311 0.066076 -2.505206
H 5.222243 0.943903 1.695185
H 7.044810 0.672189 -2.938898
H 7.605898 1.530889 1.246574
H 8.509643 1.397822 -1.065358


%chk=000276719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000276719

0 1
S -2.395810 -0.502489 1.040966
S 0.494310 4.110613 -0.511600
F -0.601430 5.504153 -1.089995
O -3.906400 -0.604702 1.714512
O -2.248393 -0.695716 -0.620401
O 1.282534 -0.695295 2.208005
O 1.670544 4.832752 0.316300
O 0.820809 3.180546 -1.779534
N -0.239459 -2.330283 1.338504
N -0.440329 -2.753339 0.041865
N 2.114157 -0.416297 -0.801491
N 2.549359 0.664827 -0.224094
C 0.332792 -2.093368 -0.932731
C 0.796798 -1.321272 1.230701
C 1.152181 -1.199240 -0.229975
C -1.954875 1.351979 1.272724
C -1.346042 -3.855136 -0.169006
C 0.284136 -2.338132 -2.402951
C -1.046983 1.935294 0.376523
C -2.551988 2.048476 2.336085
C -1.304617 -4.937625 0.742930
C -2.272033 -3.829586 -1.238949
C -0.753761 3.283666 0.624411
C -2.218474 3.410694 2.532169
C -1.297931 4.048705 1.670684
C -2.177227 -6.027564 0.551470
C -3.136810 -4.928777 -1.417137
C -3.088475 -6.031049 -0.531791
C 3.759320 1.223856 -0.713777
C 4.636871 0.554542 -1.618589
C 4.085355 2.516112 -0.216798
C 5.821781 1.189798 -2.024643
C 5.274360 3.143612 -0.636201
C 6.144393 2.484579 -1.537145
H 0.117084 -3.401185 -2.645346
H 1.236680 -2.002619 -2.847138
H -0.526574 -1.749910 -2.871615
H -0.629240 1.378461 -0.469893
H -3.277325 1.536568 2.977143
H -0.602848 -4.906604 1.580775
H -2.362148 -2.936224 -1.860625
H -2.674502 3.974920 3.351252
H -1.023685 5.098189 1.809294
H -2.148344 -6.871178 1.248662
H -3.868953 -4.909522 -2.230826
H -3.767857 -6.878228 -0.673248
H 4.366718 -0.440749 -1.985504
H 3.401055 3.009125 0.479560
H 6.500680 0.685815 -2.721043
H 5.519076 4.143338 -0.264466
H 7.070321 2.972868 -1.860124


