%chk=000203215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203215

0 1
O 2.161875 0.797414 -2.283137
O -2.115716 -1.164076 2.312997
O -4.324357 1.025903 -0.441661
O -4.444707 -0.093057 1.512893
N 4.617314 -0.442355 -0.023758
N 1.829252 -0.441942 -0.358935
C 4.080721 -0.351514 -1.416258
C 0.441585 -0.229162 -0.152330
C 2.614249 0.085719 -1.410762
C -0.131842 -0.807060 0.997019
C -0.355165 0.514824 -1.050199
C -2.323825 0.111271 0.338852
C -1.504972 -0.628004 1.222461
C 4.926454 0.918209 0.508093
C 5.830247 -1.311264 0.013706
C -1.709186 0.674492 -0.799636
C -3.756702 0.287538 0.595620
C -5.746118 1.288640 -0.330932
H 4.642886 0.348433 -2.078011
H 4.135598 -1.349265 -1.911953
H 2.327153 -0.979685 0.369117
H 0.465473 -1.378920 1.697057
H 0.096297 0.965657 -1.941094
H 5.226965 0.826605 1.564941
H 5.720484 1.458149 -0.028993
H 4.014956 1.538683 0.483883
H 5.559318 -2.330489 -0.306359
H 6.670487 -0.963271 -0.605424
H 6.182235 -1.384903 1.056648
H -2.330227 1.251755 -1.496512
H -1.488556 -1.670417 2.893717
H -6.294020 0.341445 -0.298501
H -5.956860 1.854628 -1.243424
H -5.941096 1.875918 0.571974


%chk=000203215-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203215

0 1
O 2.229450 0.798843 -2.650126
O -1.851966 -0.958257 2.457746
O -4.382576 0.915612 -0.467510
O -4.342184 -0.080038 1.636609
N 4.517062 -0.485631 -0.061481
N 1.912219 -0.186388 -0.516749
C 4.145329 -0.196408 -1.469649
C 0.527882 -0.048630 -0.278967
C 2.660005 0.212721 -1.615142
C 0.016234 -0.552899 0.943066
C -0.357600 0.566974 -1.207542
C -2.264439 0.161055 0.332199
C -1.359406 -0.454320 1.251680
C 4.868323 0.748623 0.686425
C 5.548817 -1.540356 0.080149
C -1.719630 0.657498 -0.885586
C -3.717583 0.287360 0.613903
C -5.837627 1.088063 -0.281081
H 4.758525 0.604230 -1.936684
H 4.288168 -1.108969 -2.078623
H 2.528756 -0.626413 0.196223
H 0.697847 -1.030537 1.660849
H 0.033940 0.955593 -2.148644
H 5.006180 0.509435 1.755354
H 5.803401 1.224306 0.309028
H 4.049311 1.484013 0.600330
H 5.210185 -2.464069 -0.420327
H 6.534816 -1.247770 -0.351134
H 5.698295 -1.765156 1.151005
H -2.410682 1.126592 -1.589766
H -1.116941 -1.358328 2.989183
H -6.328357 0.109254 -0.143635
H -6.182891 1.577944 -1.202983
H -6.042660 1.715953 0.602978


