%chk=000223187.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223187

0 1
S -3.186119 1.819840 0.078067
O -3.409186 2.532241 -1.174418
O -3.498478 2.469521 1.347893
O 3.089052 -0.056188 -1.875942
N 2.552394 0.238396 0.353950
N -6.109612 -3.321757 -0.159967
N 6.259771 -1.885684 1.049482
C -1.513142 1.354718 0.135327
C -4.046254 0.327745 0.008911
C -0.811315 1.096425 -1.045179
C -0.856107 1.271197 1.366853
C 1.181951 0.620400 0.233715
C -4.451604 -0.307378 1.190051
C -4.380024 -0.236077 -1.229731
C 0.531344 0.721700 -1.008567
C 0.485143 0.901269 1.431667
C -5.153941 -1.505357 1.151438
C -5.080906 -1.433077 -1.303136
C -5.467494 -2.083333 -0.104325
C 3.425798 -0.088464 -0.712502
C 4.798613 -0.459429 -0.251438
C 5.904773 0.227791 -0.772192
C 5.017240 -1.520660 0.648094
C 7.186714 -0.144043 -0.362796
C 7.324487 -1.202638 0.551124
H -1.311561 1.198837 -2.015287
H -1.396635 1.509921 2.291494
H -4.223028 0.152276 2.159312
H -4.095568 0.279726 -2.155247
H 1.071166 0.518007 -1.939759
H 0.981569 0.840750 2.396271
H -5.457208 -1.992081 2.072944
H -5.327452 -1.864603 -2.268231
H 2.931397 0.234342 1.306254
H -6.563748 -3.678520 0.664098
H -6.511150 -3.629530 -1.029932
H 5.759566 1.037856 -1.491724
H 4.184765 -2.107972 1.057363
H 8.065109 0.371148 -0.747978
H 8.311485 -1.529817 0.903541


%chk=000223187-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223187

0 1
S -3.251071 1.799642 0.156305
O -3.483368 2.615393 -1.246879
O -3.575339 2.428633 1.637047
O 3.347151 0.293828 -1.880948
N 2.663865 0.313310 0.368810
N -6.490796 -3.315548 -0.281382
N 6.467531 -1.383460 1.436221
C -1.420397 1.313321 0.191923
C -4.217710 0.196050 0.022388
C -0.725553 1.199663 -1.021334
C -0.804990 1.147767 1.442982
C 1.290847 0.662038 0.254853
C -4.649632 -0.431493 1.203972
C -4.546063 -0.285934 -1.256984
C 0.644778 0.866365 -0.996690
C 0.561777 0.815429 1.468459
C -5.409407 -1.609990 1.100941
C -5.305482 -1.464659 -1.357344
C -5.742063 -2.148343 -0.180575
C 3.599512 0.116777 -0.650105
C 4.967432 -0.315689 -0.188968
C 6.063069 -0.088509 -1.061121
C 5.225233 -0.985775 1.036966
C 7.352272 -0.494351 -0.664967
C 7.510532 -1.124435 0.592880
H -1.238496 1.396083 -1.968617
H -1.377920 1.303413 2.362791
H -4.417373 0.013304 2.177444
H -4.235481 0.268851 -2.148698
H 1.219795 0.773743 -1.918976
H 1.066902 0.680373 2.433114
H -5.758655 -2.114190 2.009451
H -5.573720 -1.857194 -2.345008
H 3.012106 0.229662 1.326677
H -6.818798 -3.799103 0.549676
H -6.746221 -3.695353 -1.188358
H 5.874506 0.392462 -2.026088
H 4.414943 -1.260833 1.725589
H 8.220281 -0.329777 -1.310262
H 8.497806 -1.443975 0.944311


