%chk=000253651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253651

0 1
S 4.555665 -1.180978 -0.710066
O -4.516930 0.081627 -0.144092
O -1.786206 2.243473 -1.081706
O -4.785201 -1.667869 1.216501
N -0.316770 -0.259330 -0.166450
N 1.336102 -1.420062 -1.275490
N 1.148049 1.038639 1.407633
N 3.519721 0.535476 1.080695
C -1.659917 0.195901 0.252687
C -2.357014 0.940811 -0.922844
C -2.504055 -0.996473 0.718775
C -3.944672 -0.556700 1.022983
C -3.827414 1.258437 -0.580647
C 0.899004 0.140281 0.400227
C 0.016853 -1.220076 -1.177256
C 1.926734 -0.592473 -0.309857
C 3.261005 -0.343501 0.090035
C 2.463335 1.185264 1.694381
C 6.048362 -0.578050 0.093464
H -1.520013 0.928360 1.103400
H -2.268038 0.380271 -1.877600
H -2.519585 -1.803827 -0.040034
H -2.059113 -1.464319 1.621968
H -4.061935 0.076783 1.923514
H -3.897712 2.050002 0.188520
H -4.401814 1.564869 -1.476018
H -0.743511 -1.704711 -1.775832
H -0.827260 2.186291 -1.286142
H -5.095351 -2.032229 0.351796
H 2.732240 1.892628 2.497044
H 6.051923 -0.794686 1.170974
H 6.165248 0.509079 -0.017217
H 6.908470 -1.076611 -0.371348


%chk=000253651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253651

0 1
S 4.642277 -1.143478 -0.788053
O -4.565586 0.101396 -0.022168
O -1.824084 2.175599 -1.425568
O -4.688000 -1.577662 1.612212
N -0.305849 -0.207693 -0.331482
N 1.369593 -1.275649 -1.497564
N 1.063884 0.896816 1.413729
N 3.454388 0.415881 1.152331
C -1.653935 0.211569 0.114669
C -2.437080 0.910850 -1.024797
C -2.463493 -0.979195 0.684264
C -3.866404 -0.510390 1.127803
C -3.847688 1.282640 -0.522644
C 0.894353 0.117865 0.311468
C 0.046086 -1.052296 -1.400957
C 1.921611 -0.548749 -0.427268
C 3.247441 -0.361575 0.050518
C 2.376327 0.997428 1.771211
C 6.056675 -0.538277 0.296805
H -1.474590 0.959110 0.912847
H -2.531241 0.216427 -1.888447
H -2.585237 -1.767601 -0.085152
H -1.933802 -1.419933 1.547102
H -3.805333 0.216208 1.962819
H -3.759135 2.057388 0.267975
H -4.456980 1.680324 -1.347536
H -0.694380 -1.476782 -2.075340
H -0.897460 2.014338 -1.737777
H -4.911856 -2.181841 0.857921
H 2.599504 1.606624 2.651299
H 5.914067 -0.895345 1.325751
H 6.089356 0.559594 0.286120
H 6.966771 -0.967296 -0.150090


