%chk=000244633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244633

0 1
S 1.522240 -1.142966 -0.937342
O 2.848673 1.024240 1.960108
O 4.063828 -1.441097 -1.748630
O -2.754656 2.660401 -0.670079
O -0.871017 2.415604 0.364740
N 3.668989 -0.134170 0.149908
N -1.902800 1.981975 -0.123559
C -1.169870 -0.342618 0.504282
C 0.113797 0.170237 1.019117
C -2.142588 0.522507 -0.036915
C 1.298246 -0.135903 0.486843
C -1.450267 -1.715542 0.571643
C 2.611025 0.347047 0.993325
C -3.365440 0.022035 -0.513712
C -2.670611 -2.211436 0.104259
C -3.626633 -1.345653 -0.439644
C 3.330292 -0.949250 -0.948642
H 0.042003 0.848002 1.890323
H -0.709310 -2.400148 0.991863
H -4.102480 0.713984 -0.940441
H -2.876685 -3.283028 0.161733
H -4.575745 -1.739007 -0.807620
H 4.642809 0.121286 0.345640


%chk=000244633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244633

0 1
S 1.809003 -1.631503 -0.792392
O 2.699305 1.372843 1.655324
O 4.556179 -1.986079 -1.066631
O -3.319203 2.738747 0.188192
O -1.052773 2.630756 0.006994
N 3.791097 -0.242177 0.337516
N -2.216950 2.073388 0.093819
C -1.147242 -0.236697 0.237041
C 0.172396 0.286370 0.618349
C -2.303316 0.587844 0.056356
C 1.401924 -0.234279 0.318476
C -1.355185 -1.642923 0.120860
C 2.642706 0.405527 0.857201
C -3.580746 0.051442 -0.214621
C -2.621596 -2.188814 -0.163519
C -3.742436 -1.341826 -0.331281
C 3.652115 -1.320928 -0.537886
H 0.210524 1.198206 1.226984
H -0.513303 -2.318500 0.300845
H -4.420327 0.739529 -0.340815
H -2.736018 -3.274748 -0.241358
H -4.728739 -1.761033 -0.551804
H 4.726385 0.081355 0.599551


