%chk=000257132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257132

0 1
S 1.991279 -0.563016 -0.708891
S 2.361315 -0.558939 2.309575
O -1.751775 2.548750 -0.773780
O -2.595506 -2.190311 -0.667869
O -3.690535 0.528666 2.830522
O 4.216640 -0.928266 0.648451
N -2.702398 1.533857 1.006202
N -3.124323 -0.833660 1.058948
C -2.052811 0.151196 -1.012191
C -0.566408 -0.121169 -1.353976
C -2.892382 0.272176 -2.289931
C -2.134714 1.506519 -0.296580
C -2.591835 -1.060319 -0.239257
C 0.299829 -0.247402 -0.110620
C -3.211012 0.418586 1.725842
C 2.927786 -0.695175 0.790496
C 4.842597 -1.070768 -0.688080
C 6.292812 -1.321066 -0.340152
H -0.201016 0.703515 -2.009034
H -0.513114 -1.049028 -1.969609
H -2.535327 1.095665 -2.927346
H -2.846041 -0.650548 -2.888539
H -3.951314 0.465395 -2.073861
H 0.290735 0.673546 0.510295
H -0.022225 -1.079933 0.550387
H -2.753858 2.449870 1.485355
H -3.485215 -1.653980 1.576776
H 4.366739 -1.926041 -1.198438
H 4.687147 -0.127664 -1.240155
H 6.903529 -1.450632 -1.242210
H 6.718316 -0.488859 0.240712
H 6.409586 -2.222165 0.280657


%chk=000257132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257132

0 1
S 2.094456 -0.561703 -0.795400
S 2.285796 -0.619287 2.339551
O -1.657301 2.562683 -0.704746
O -2.492209 -2.229616 -0.564051
O -4.075421 0.614841 2.755227
O 4.337650 -0.972044 0.689205
N -2.874729 1.555197 0.983206
N -3.276395 -0.776087 1.054222
C -2.078793 0.157689 -0.953338
C -0.596406 -0.110977 -1.372531
C -2.952648 0.270179 -2.248834
C -2.165023 1.514918 -0.229835
C -2.609273 -1.046861 -0.153589
C 0.341563 -0.256062 -0.162326
C -3.456021 0.475040 1.674036
C 2.990121 -0.733216 0.816281
C 4.999711 -1.082736 -0.656758
C 6.473280 -1.355654 -0.381050
H -0.276911 0.734391 -2.007365
H -0.586429 -1.035688 -1.976080
H -2.575153 1.099414 -2.869888
H -2.887554 -0.675989 -2.811233
H -4.013286 0.465029 -2.009354
H 0.385192 0.653193 0.459344
H 0.084603 -1.115397 0.478394
H -2.967672 2.470308 1.437380
H -3.665912 -1.578852 1.560395
H 4.517620 -1.907706 -1.214478
H 4.843531 -0.131565 -1.199772
H 7.018532 -1.449968 -1.337707
H 6.923037 -0.532100 0.198058
H 6.598543 -2.292573 0.186732


