%chk=000021621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021621

1 1
 O   -1.903400      0.1689000      0.9474000    
 O   -2.320800     -0.7374000      -1.152700    
 N    2.826700     -0.5679000      0.2364000    
 N   -3.862500     -0.9603000      0.5666000    
 C    2.479100      -2.054400      0.1914000    
 C    1.586200      0.3204000      0.1146000    
 C    3.508000     -0.2790000       1.571000    
 C    3.764400     -0.2641000     -0.9289000    
 C    1.775200      -2.362300      -1.112100    
 C   0.4227000     -0.1828000      0.5923000    
 C    1.756100       1.535200     -0.4603000    
 C  -0.7078000      0.6269000      0.4815000    
 C  -0.6061000       1.890800     -0.1000000    
 C   0.6259000       2.344800     -0.5710000    
 C   -1.805400       2.770700     -0.2273000    
 C   -2.674900     -0.5379000      5.5000000E-03
 C   -4.863500      -1.711700     -0.1545000    
 H    3.421900      -2.613400      0.2488000    
 H    1.900500      -2.334000       1.077200    
 H    2.819000     -0.5321000       2.382900    
 H    4.411600     -0.8932000       1.632800    
 H    3.773700      0.7820000       1.609500    
 H    4.310900      0.6631000     -0.7278000    
 H    4.508000      -1.067100     -0.9861000    
 H    3.210400     -0.2084000      -1.871400    
 H    1.435200      -3.404600      -1.083200    
 H   0.8930000      -1.761300      -1.336900    
 H    2.452900      -2.299400      -1.969600    
 H   0.3029000      -1.138100       1.084200    
 H    2.692600       1.947600     -0.8101000    
 H   0.7219000       3.329400      -1.021300    
 H   -2.345700       2.830200      0.7235000    
 H   -1.529500       3.794500     -0.5026000    
 H   -2.478600       2.385100     -0.9996000    
 H   -4.043200     -0.7293000       1.538700    
 H   -5.787400      -1.128200     -0.1624000    
 H   -5.033800      -2.650800      0.3773000    
 H   -4.546300      -1.917700      -1.179400    


%chk=000021621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021621

1 1
O -2.187822 0.436486 0.171025
O -1.907607 -1.832259 0.899787
N 2.675179 -0.708018 0.192641
N -4.005065 -0.778919 0.746594
C 2.470340 -2.008032 -0.653265
C 1.551244 0.291913 -0.080468
C 2.652770 -1.094153 1.679933
C 4.055989 -0.133713 -0.108724
C 2.471218 -1.775091 -2.164966
C 0.235109 -0.145951 0.173017
C 1.816922 1.591839 -0.544464
C -0.833701 0.751209 -0.047054
C -0.613150 2.082035 -0.516166
C 0.723300 2.466192 -0.754236
C -1.770643 3.026794 -0.740966
C -2.650529 -0.853300 0.643740
C -4.824920 -1.913372 1.198717
H 3.279454 -2.692913 -0.343125
H 1.509456 -2.433453 -0.323735
H 1.692459 -1.570266 1.919920
H 3.479646 -1.794465 1.877110
H 2.769974 -0.180347 2.280923
H 4.248687 0.718650 0.558792
H 4.801103 -0.922598 0.075737
H 4.110814 0.187034 -1.156873
H 2.209794 -2.729397 -2.654997
H 1.714372 -1.032416 -2.467478
H 3.455897 -1.471590 -2.557012
H -0.009940 -1.147717 0.531652
H 2.825239 1.956927 -0.748417
H 0.921145 3.480670 -1.114826
H -2.342584 3.182107 0.191531
H -1.420252 4.006892 -1.101976
H -2.481372 2.615696 -1.480383
H -4.451588 0.105070 0.496219
H -5.544092 -2.210891 0.415931
H -5.377874 -1.653355 2.118082
H -4.159071 -2.763097 1.412179


