%chk=000042658.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042658

0 1
 O  -0.9880000      -2.299100      0.9776000    
 O   -5.992400       1.447300     -4.9699999E-02
 N    4.711000      0.6611000       1.232000    
 N   7.1800001E-02 -0.4757000      4.3299999E-02
 C    2.438000      0.1260000      0.3720000    
 C    2.710000      0.9369000     -0.9146000    
 C    1.415300      -1.008200      0.1398000    
 C    3.048700      3.4200002E-02  -2.112000    
 C    3.811300       1.974800     -0.6575000    
 C    3.750400     -0.4216000      0.9743000    
 C    1.736700      -1.863900      -1.089500    
 C    1.974100      -1.023300      -2.341300    
 C    5.056100       1.372500     -4.1999999E-03
 C    5.916400      0.1353000       1.872800    
 C   -1.067700      -1.176200      0.4803000    
 C   -2.358400     -0.4887000      0.3420000    
 C   -3.518700      -1.236400      0.2015000    
 C   -2.397800      0.8983000      0.3536000    
 C   -4.744300     -0.5836000      6.9700003E-02
 C   -3.623500       1.551400      0.2220000    
 C   -4.796800      0.8104000      8.0100000E-02
 C   -7.152200      0.6286000     -0.1924000    
 H    2.011800      0.8174000       1.115000    
 H    1.798100       1.490700      -1.176000    
 H    1.424300      -1.668800       1.016200    
 H    4.013100     -0.4652000      -1.966500    
 H    3.148400      0.6453000      -3.017200    
 H    3.410400       2.756700      1.6000000E-03
 H    4.090700       2.472700      -1.593700    
 H    3.509600     -0.9184000       1.923000    
 H    4.195200      -1.181900      0.3205000    
 H   0.9274000      -2.578000      -1.284200    
 H    2.634400      -2.462100     -0.8910000    
 H    1.039200     -0.5374000      -2.645700    
 H    2.273900      -1.676400      -3.168800    
 H    5.571300      0.7096000     -0.7105000    
 H    5.747200       2.193400      0.2244000    
 H  -4.2300001E-02  0.4030000     -0.4506000    
 H    5.666800     -0.3506000       2.822700    
 H    6.611700      0.9480000       2.110700    
 H    6.438500     -0.5915000       1.240000    
 H   -3.493800      -2.322600      0.1873000    
 H   -1.511500       1.509900      0.4920000    
 H   -5.616100      -1.219900     -3.7900001E-02
 H   -3.659200       2.637300      0.2370000    
 H   -7.320900      1.1400000E-02  0.6965000    
 H   -7.113600      3.2600001E-02  -1.110500    
 H   -8.012500       1.299900     -0.2832000    


%chk=000042658-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042658

0 1
O -0.963446 -2.367826 0.767686
O -6.131823 1.444133 -0.115918
N 4.782914 0.607750 1.244737
N 0.104502 -0.443972 0.031380
C 2.499450 0.087120 0.381689
C 2.763840 0.943226 -0.896923
C 1.457924 -1.039034 0.132146
C 3.093752 0.060170 -2.129902
C 3.859046 1.998845 -0.595923
C 3.819916 -0.481404 0.955519
C 1.785715 -1.887302 -1.128213
C 2.000645 -1.005469 -2.379002
C 5.125409 1.372405 0.022200
C 5.980308 0.116668 1.952400
C -1.032598 -1.156761 0.370969
C -2.351281 -0.441442 0.243448
C -3.526378 -1.229953 0.288829
C -2.488176 0.967740 0.097995
C -4.806015 -0.651793 0.172694
C -3.755891 1.562038 -0.016952
C -4.921011 0.753040 0.012938
C -7.370367 0.660152 -0.077902
H 2.094945 0.760467 1.165286
H 1.830870 1.500178 -1.144888
H 1.423124 -1.716990 1.006314
H 4.068082 -0.447607 -1.987130
H 3.206394 0.709913 -3.020658
H 3.462051 2.743836 0.120567
H 4.129847 2.537333 -1.525783
H 3.601501 -1.008395 1.904124
H 4.262142 -1.238827 0.256324
H 0.965280 -2.610616 -1.284192
H 2.701605 -2.479310 -0.930234
H 1.047169 -0.505307 -2.647926
H 2.275876 -1.639575 -3.243444
H 5.644271 0.723970 -0.732924
H 5.837061 2.172306 0.301134
H 0.018664 0.485702 -0.379653
H 5.680246 -0.382814 2.891129
H 6.634746 0.968129 2.212440
H 6.584204 -0.611740 1.351962
H -3.407671 -2.310181 0.423623
H -1.610706 1.625740 0.106303
H -5.692358 -1.291922 0.208624
H -3.873116 2.644899 -0.120231
H -7.482146 0.133241 0.889245
H -7.407865 -0.072063 -0.907476
H -8.178553 1.396500 -0.195528


