%chk=000231909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231909

0 1
S 2.908782 1.939626 -1.134003
S 0.940551 -3.763001 0.501628
O 2.665615 1.750046 -2.552769
O 3.840771 2.967051 -0.707494
O 5.690755 -1.310319 1.251006
O 1.229192 -3.475411 1.896854
O 0.883204 -5.136172 0.043531
O -3.769853 2.869685 -0.195354
O -4.775028 -0.105214 1.043627
N 3.521309 0.462624 -0.470325
N 2.158214 -3.044816 -0.478141
N -2.330757 2.594509 1.589375
N -3.952013 -0.751333 -1.014130
C 2.953942 -0.791201 -1.039167
C 2.901077 -1.878605 0.059751
C 4.981290 0.417646 -0.191202
C 1.389578 2.123791 -0.346769
C 5.234395 0.061762 1.283258
C 1.295586 2.091899 1.049363
C 0.235725 2.328012 -1.115895
C -0.489441 -2.908395 0.066723
C 0.064674 2.247844 1.679645
C -1.005010 2.494212 -0.508264
C -1.097055 2.448537 0.896160
C -0.871211 -2.785847 -1.274228
C -1.280576 -2.332882 1.069497
C -2.018359 -2.077884 -1.621300
C -2.437155 -1.628251 0.747923
C -2.804692 -1.487526 -0.603693
C -3.613071 2.777754 1.008052
C -4.862459 -0.065225 -0.170135
C -4.732799 2.813401 2.000028
C -5.899791 0.726025 -0.903389
H 1.925295 -0.598947 -1.421241
H 3.541649 -1.157797 -1.910728
H 3.938881 -2.155637 0.374073
H 2.409288 -1.474842 0.973435
H 5.454956 1.406017 -0.413189
H 5.505871 -0.335539 -0.828886
H 2.763721 -3.679262 -1.013738
H 4.323454 0.126539 1.903002
H 6.034549 0.683619 1.721293
H 2.193003 1.939553 1.658023
H 0.308370 2.354921 -2.212017
H 0.007137 2.214509 2.764778
H -1.899950 2.663426 -1.116813
H -0.265722 -3.242995 -2.064211
H -0.984600 -2.433017 2.122669
H 5.837499 -1.640477 2.157715
H -2.297991 -1.986026 -2.667894
H -3.055960 -1.191975 1.538936
H -2.280246 2.500400 2.609291
H -4.086889 -0.669498 -2.027300
H -5.596201 3.360905 1.589569
H -5.085668 1.777024 2.199255
H -4.487870 3.271892 2.964215
H -6.797746 0.859879 -0.279395
H -5.507696 1.746201 -1.111283
H -6.229023 0.296784 -1.855822


%chk=000231909-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231909

0 1
S 3.253589 2.129176 -1.023821
S 0.929153 -3.877840 0.227934
O 3.022584 1.940996 -2.632598
O 4.239892 3.291033 -0.438958
O 5.538472 -1.662731 0.993401
O 1.204758 -3.787691 1.837646
O 0.998024 -5.301947 -0.556692
O -3.750235 2.537064 -0.318590
O -5.013204 -0.225265 1.224499
N 3.853484 0.501176 -0.177146
N 2.077431 -2.762971 -0.748195
N -2.251049 2.862720 1.459027
N -4.353793 -1.074620 -0.861954
C 3.367114 -0.689861 -0.931082
C 2.454413 -1.527556 -0.005769
C 5.317346 0.573922 0.077185
C 1.550399 2.327389 -0.262305
C 5.684035 -0.232820 1.325229
C 1.451626 2.663112 1.098993
C 0.431282 2.174378 -1.095217
C -0.705249 -3.016223 -0.091164
C 0.167122 2.835265 1.642745
C -0.856483 2.351905 -0.548036
C -0.993318 2.677179 0.829988
C -1.222397 -3.019021 -1.398047
C -1.367552 -2.423331 0.994207
C -2.448750 -2.369151 -1.620159
C -2.600230 -1.776190 0.769515
C -3.139164 -1.735346 -0.546371
C -3.536034 2.778645 0.907729
C -5.197352 -0.336609 -0.025216
C -4.666721 2.961206 1.909150
C -6.332143 0.373146 -0.749377
H 2.817252 -0.386122 -1.843121
H 4.233492 -1.296305 -1.255778
H 2.992696 -1.734201 0.937021
H 1.533955 -0.959979 0.219328
H 5.573248 1.636443 0.254764
H 5.917625 0.205835 -0.781183
H 2.899868 -3.369367 -0.944733
H 5.016342 0.055001 2.162341
H 6.737017 -0.004199 1.594774
H 2.347554 2.798307 1.711429
H 0.568986 1.936245 -2.155095
H 0.062275 3.096466 2.702986
H -1.750781 2.249183 -1.163959
H -0.683151 -3.509053 -2.213726
H -0.926202 -2.475129 1.995067
H 5.755630 -2.215117 1.784942
H -2.871200 -2.347192 -2.632255
H -3.148839 -1.305423 1.586246
H -2.213525 3.069377 2.459749
H -4.611518 -1.083263 -1.851501
H -5.436807 3.616707 1.470657
H -5.123760 1.968848 2.084984
H -4.343678 3.385932 2.875560
H -7.210049 0.424778 -0.087067
H -5.996605 1.404633 -0.967185
H -6.623373 -0.113548 -1.696898


