%chk=000274510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274510

0 1
S -0.150324 1.691717 0.123738
O 0.253289 2.158854 -1.178594
O -0.180503 2.585977 1.241338
O -5.871081 -1.647539 0.662703
O -5.753391 -1.475994 -1.492800
N 1.017964 0.435580 0.518724
N 1.666357 -1.410579 1.495032
N 0.649301 -0.654564 1.292499
N -5.329236 -1.287701 -0.366526
C 2.406372 0.331761 0.238773
C 3.167543 1.333023 -0.540308
C 2.809561 -0.854496 0.864162
C 4.140897 -1.505605 0.910113
C 3.786770 2.400254 0.380210
C 4.370221 -2.392591 -0.326124
C -1.639750 0.820188 -0.004865
C 4.584492 3.424297 -0.419821
C 5.752181 -3.037652 -0.301578
C -2.281749 0.352503 1.144810
C -2.191419 0.601289 -1.273064
C -3.493644 -0.340771 1.033444
C -3.399904 -0.087201 -1.398498
C -4.035584 -0.549557 -0.238320
H 2.522654 1.824298 -1.309627
H 3.968433 0.822191 -1.119614
H 4.228607 -2.120691 1.833784
H 4.936801 -0.735253 0.984077
H 4.438102 1.914600 1.133785
H 2.988292 2.912116 0.955665
H 4.247153 -1.793599 -1.248992
H 3.586707 -3.176666 -0.366603
H 5.017739 4.187019 0.238773
H 3.954160 3.948110 -1.149597
H 5.410348 2.961120 -0.971321
H 6.552393 -2.289078 -0.294121
H 5.887313 -3.671289 0.583277
H 5.906519 -3.673083 -1.181700
H -1.843489 0.514287 2.138700
H -1.680495 0.971068 -2.172886
H -4.009369 -0.718725 1.924671
H -3.848430 -0.269118 -2.382219


%chk=000274510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274510

0 1
S -0.065056 1.736601 -0.077159
O 0.288434 2.193621 -1.592062
O -0.066303 2.805018 1.136858
O -6.057257 -1.324879 0.962952
O -5.840951 -1.650574 -1.285411
N 1.123647 0.319896 0.367365
N 1.699058 -1.608826 1.214578
N 0.616200 -0.833356 1.021034
N -5.420561 -1.205655 -0.151039
C 2.503643 0.267787 0.170197
C 3.328167 1.361917 -0.447069
C 2.854900 -0.979318 0.717610
C 4.194964 -1.656937 0.779146
C 3.591739 2.557663 0.517720
C 4.506504 -2.508348 -0.483985
C -1.695653 0.786965 -0.081407
C 4.447082 3.649006 -0.157275
C 5.870287 -3.222136 -0.381818
C -2.383777 0.654134 1.134205
C -2.155555 0.311462 -1.318922
C -3.627007 -0.009333 1.107702
C -3.399000 -0.353166 -1.339901
C -4.104498 -0.501510 -0.126552
H 2.835698 1.742718 -1.361738
H 4.297268 0.928493 -0.755645
H 4.211011 -2.315540 1.667817
H 4.995771 -0.905079 0.918965
H 4.098727 2.183812 1.428443
H 2.626965 2.988767 0.847340
H 4.487220 -1.855673 -1.379603
H 3.697499 -3.251419 -0.618075
H 4.632602 4.488988 0.535561
H 3.938061 4.054877 -1.051092
H 5.428696 3.250884 -0.477018
H 6.695409 -2.494262 -0.264305
H 5.896624 -3.903661 0.488968
H 6.075550 -3.822500 -1.286373
H -1.970450 1.056092 2.063277
H -1.572636 0.468935 -2.231477
H -4.218899 -0.155436 2.014362
H -3.822322 -0.751529 -2.265072


