%chk=000073604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073604

0 1
 O   0.4982000      0.6709000     -8.3200000E-02
 O   -1.133000     -0.8995000     -0.6459000    
 O    3.502100      -2.090900     -0.5476000    
 O   0.7218000      -2.975500     -0.1379000    
 O    4.010500      0.3554000      0.9058000    
 O    2.164700       2.737700     -0.8839000    
 N   -1.469100       2.475400     -0.5262000    
 C    2.499200      -1.373400      0.1733000    
 C    1.130800      -1.644600     -0.4519000    
 C    2.848800      0.1138000      0.1163000    
 C   7.3399998E-02 -0.6796000      8.4399998E-02
 C    1.691600      0.9644000      0.6453000    
 C   -2.168700     -3.5900000E-02 -0.2034000    
 C   -2.563200     -0.3643000       1.244300    
 C    1.970200       2.456100      0.4900000    
 C   -4.091900     -0.2862000       1.294300    
 C   -3.429400     -0.3258000     -0.9542000    
 C   -4.477900     -0.4641000     -0.1358000    
 C   -1.778100       1.366200     -0.3837000    
 H    2.535000      -1.743100       1.205500    
 H    1.193200      -1.581300      -1.544800    
 H    3.093400      0.3611000     -0.9240000    
 H  -9.4400004E-02 -0.8864000       1.148800    
 H    1.523700      0.7667000       1.712200    
 H   -2.113400      0.3079000       1.984800    
 H   -2.261800      -1.386000       1.514900    
 H    2.841500       2.789400       1.061600    
 H    1.105100       3.038800      0.8213000    
 H   -4.435400      0.6855000       1.663400    
 H   -4.506100      -1.074900       1.929000    
 H   -3.492500     -0.3973000      -2.031500    
 H    4.359200      -1.886300     -0.1360000    
 H   0.6620000      -3.052800      0.8296000    
 H    4.350100       1.235900      0.6734000    
 H   -5.488400     -0.6527000     -0.4676000    
 H    3.087700       2.526200      -1.103200    


%chk=000073604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073604

0 1
O 0.715293 1.067245 -0.388120
O -1.298857 -0.090298 -0.417546
O 2.821828 -2.540399 0.108346
O 0.026197 -2.427399 0.718241
O 4.232810 -0.058548 0.426753
O 4.073941 2.536474 -0.244141
N -1.922630 2.705756 1.584464
C 2.174304 -1.267963 0.443500
C 0.721657 -1.382278 -0.038763
C 2.899471 -0.070348 -0.178759
C -0.018111 -0.059475 0.227684
C 2.089232 1.212602 0.135181
C -2.473837 0.366530 0.406191
C -2.907215 -0.737877 1.430862
C 2.632503 2.458235 -0.574172
C -4.051270 -1.524351 0.724877
C -3.642583 0.450640 -0.563301
C -4.486348 -0.598762 -0.396822
C -2.161333 1.664543 1.052259
H 2.181052 -1.126792 1.547899
H 0.703222 -1.597561 -1.126105
H 2.963572 -0.192886 -1.282267
H -0.103104 0.108875 1.325621
H 2.078874 1.371103 1.236189
H -3.279559 -0.263167 2.355364
H -2.045045 -1.378968 1.680207
H 2.096308 3.357879 -0.219462
H 2.486235 2.346595 -1.666721
H -4.878198 -1.762966 1.419127
H -3.688731 -2.484865 0.310298
H -3.700733 1.237666 -1.317808
H 3.784520 -2.445783 0.328707
H 0.607138 -3.232105 0.693945
H 4.624144 0.841951 0.231111
H -5.368738 -0.789785 -1.016359
H 4.472894 3.357283 -0.619079


