%chk=000263069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263069

0 1
S 1.262179 0.924253 0.640970
S -1.964344 0.310279 -1.553266
O 2.214846 0.256671 1.520670
O -0.074548 1.177787 1.192863
O -0.992854 1.357664 -1.893893
O -2.537130 -0.461932 -2.640812
N 0.124623 -1.200135 -0.782797
C 1.093803 -0.075135 -0.817860
C -1.242445 -0.795690 -0.356360
C 0.630229 -2.322888 0.082868
C 1.694167 -3.110834 -0.704754
C 1.948118 2.398495 0.075339
C -3.258591 1.027293 -0.662491
C 2.171340 -4.292695 0.093440
C 1.246103 3.210833 -0.823543
C -2.999346 1.840784 0.446486
C 3.204901 2.802383 0.542826
C -4.579584 0.821023 -1.078055
C 3.012214 -4.098598 1.201346
C 1.782676 -5.592633 -0.261656
C 1.801848 4.412946 -1.261559
C -4.052682 2.432181 1.144623
C 3.765714 4.002080 0.108912
C -5.637305 1.408074 -0.385484
C 3.064732 4.818522 -0.797506
C -5.379547 2.219391 0.734300
C 3.459385 -5.195182 1.941320
C 2.234781 -6.686888 0.481887
C 3.073087 -6.491545 1.583299
C 3.666052 6.097568 -1.275362
C -6.506944 2.862747 1.470469
H 2.081797 -0.504012 -1.116353
H 0.819706 0.557576 -1.715828
H -1.860948 -1.723645 -0.297901
H -1.288794 -0.360470 0.678984
H -0.213939 -3.003478 0.328908
H 1.050691 -1.977860 1.055398
H 2.552063 -2.453629 -0.958823
H 1.272349 -3.424561 -1.683083
H 0.253650 2.905402 -1.199134
H -1.963198 2.015099 0.783694
H 3.750807 2.170891 1.255227
H -4.783707 0.194317 -1.955738
H 3.312964 -3.090029 1.486448
H 1.128844 -5.752443 -1.116603
H 1.251596 5.034930 -1.965735
H -3.840582 3.059683 2.008368
H 4.743841 4.307673 0.474105
H -6.660542 1.241910 -0.714852
H 4.110546 -5.039398 2.799977
H 1.931776 -7.693931 0.200892
H 3.423879 -7.343752 2.160467
H 2.906576 6.853223 -1.521003
H 4.339626 6.549975 -0.534389
H 4.258356 5.930211 -2.188944
H -6.734346 3.851766 1.042174
H -7.432337 2.272325 1.423629
H -6.279754 3.019009 2.534294


%chk=000263069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263069

0 1
S 2.346728 1.098674 0.600299
S -2.540507 -0.310287 -1.134950
O 3.532911 -0.023008 0.878357
O 1.262386 1.483059 1.794414
O -2.028536 0.614202 -2.401406
O -2.712489 -1.941701 -1.281108
N 0.120355 -0.540439 -0.196764
C 0.976752 0.247490 -0.938311
C -1.059789 0.010881 0.330792
C 0.454245 -1.948453 0.211869
C 1.679831 -2.545218 -0.510702
C 3.226272 2.707456 0.126497
C -4.193142 0.394237 -0.540201
C 1.981461 -3.925813 0.060299
C 2.566813 3.927185 0.352291
C -4.490291 1.737163 -0.825761
C 4.520166 2.623055 -0.413981
C -5.073169 -0.462389 0.141793
C 2.893849 -4.061475 1.138387
C 1.335322 -5.083584 -0.442572
C 3.239928 5.118120 -0.000283
C -5.730902 2.246004 -0.381477
C 5.172712 3.827766 -0.758391
C -6.307358 0.070561 0.575242
C 4.541789 5.086296 -0.568307
C -6.651765 1.426078 0.324569
C 3.155973 -5.331211 1.700747
C 1.597090 -6.354261 0.118057
C 2.508153 -6.481422 1.192491
C 5.241612 6.371435 -0.972263
C -7.995202 1.976537 0.767473
H 1.711380 -0.262277 -1.565288
H 0.538738 1.162305 -1.351606
H -1.463975 -0.523987 1.197866
H -1.071676 1.102891 0.417200
H -0.444321 -2.560065 0.011956
H 0.646813 -1.937799 1.301876
H 2.554601 -1.886932 -0.345455
H 1.474809 -2.612103 -1.596342
H 1.579244 3.940931 0.825533
H -3.787322 2.349427 -1.400629
H 5.008435 1.648667 -0.522255
H -4.810310 -1.513841 0.299770
H 3.400556 -3.168847 1.526225
H 0.630122 -4.990546 -1.278323
H 2.751920 6.084031 0.175257
H -5.989669 3.290425 -0.590996
H 6.186830 3.790203 -1.173153
H -7.013738 -0.575284 1.109559
H 3.866665 -5.423725 2.529853
H 1.094832 -7.241881 -0.283153
H 2.713566 -7.466590 1.626405
H 4.929458 7.220279 -0.339404
H 6.338934 6.275432 -0.901248
H 5.002248 6.637451 -2.020214
H -8.757614 1.831017 -0.022152
H -8.362958 1.468445 1.675608
H -7.942371 3.059035 0.976411


