%chk=000227706.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227706

0 1
S 0.838261 -0.597143 -0.372316
O 4.659098 0.287986 0.416180
O 0.821569 -0.858890 1.055418
O 1.089408 -1.687971 -1.292651
O -4.536264 -1.349561 -0.245311
O -5.020265 0.193957 1.306743
N 2.019871 0.632471 -0.695485
N -2.866345 1.872977 0.425993
C -0.656682 0.214299 -0.826667
C 2.483364 1.399306 0.495510
C 3.174463 0.202109 -1.533401
C -1.836373 -0.346712 -0.040695
C 3.561706 0.637163 1.284937
C 4.255766 -0.518209 -0.709941
C -3.084387 0.550149 -0.196006
C -4.301520 -0.168236 0.407281
H -0.593396 1.318848 -0.666041
H -0.843126 0.129744 -1.918609
H 1.621372 1.644826 1.152347
H 2.897770 2.367468 0.127910
H 3.603648 1.117199 -2.003823
H 2.817217 -0.452440 -2.362252
H -1.574747 -0.449681 1.038577
H -2.086862 -1.373138 -0.394641
H 4.055342 1.268168 2.044379
H 3.159527 -0.279310 1.758762
H 3.920546 -1.506385 -0.346934
H 5.202718 -0.629402 -1.268041
H -3.297131 0.709148 -1.291819
H -2.626669 1.786818 1.412140
H -3.703287 2.450764 0.368637
H -5.322492 -1.844823 0.115618


%chk=000227706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227706

0 1
S 0.865852 -0.510404 -0.076309
O 4.904645 0.264952 0.203886
O 0.797438 -0.585851 1.559571
O 1.096180 -1.864290 -0.967081
O -4.783877 -1.341878 -0.575182
O -5.065593 -0.076370 1.357036
N 2.148464 0.836590 -0.645395
N -3.065950 1.795710 0.428728
C -0.759502 0.327931 -0.673751
C 2.771956 1.490365 0.551687
C 3.158670 0.215552 -1.561584
C -1.958346 -0.383745 -0.050293
C 3.899996 0.665729 1.205572
C 4.270396 -0.566511 -0.834642
C -3.235727 0.498542 -0.230654
C -4.449252 -0.297513 0.293547
H -0.675578 1.371110 -0.332815
H -0.692106 0.251277 -1.770248
H 1.983181 1.712194 1.292004
H 3.176361 2.448925 0.171610
H 3.595818 1.066064 -2.120319
H 2.631783 -0.442787 -2.274254
H -1.775710 -0.534600 1.032022
H -2.121966 -1.371092 -0.514576
H 4.447295 1.271275 1.946820
H 3.473697 -0.229261 1.704950
H 3.850827 -1.491533 -0.384964
H 5.080113 -0.837145 -1.532228
H -3.396750 0.661572 -1.312500
H -3.072682 1.723905 1.453387
H -3.720061 2.516229 0.107216
H -5.547474 -1.863443 -0.205443


