%chk=000029066.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029066

0 1
 O   -1.767200     -0.7841000     -0.1452000    
 O    4.113600       1.192100      0.5420000    
 O    1.854100       2.565600     -0.2799000    
 O    3.997100      -1.552000      0.8974000    
 O  -0.7423000      -2.743400     -0.7850000    
 N   -3.920200      0.5918000      0.9029000    
 N   -5.973000      0.8700000      0.1024000    
 C   0.5664000     -0.8531000     -0.1535000    
 C    2.949000      0.5206000      0.3144000    
 C    1.812800       1.215700     -0.1000000    
 C    2.893900     -0.8616000      0.4948000    
 C   0.6215000      0.5289000     -0.3339000    
 C    1.702500      -1.548400      0.2608000    
 C   -3.053200      -1.379300     -0.3485000    
 C  -0.6758000      -1.569400     -0.3978000    
 C   -4.116300     -0.3718000     -2.2600001E-02
 C   -5.369200     -0.2001000     -0.5090000    
 C   -5.073900       1.324100      0.9471000    
 C    4.673500       1.907100     -0.5570000    
 C   0.6495000       3.199800     -0.7048000    
 C    4.857200      -2.052200     -0.1245000    
 H  -0.2789000       1.028300     -0.6736000    
 H    1.668400      -2.625500      0.4073000    
 H   -3.163200      -2.249500      0.3087000    
 H   -3.146600      -1.693800      -1.394300    
 H   -3.088500      0.7490000       1.457200    
 H   -5.883400     -0.7771000      -1.263700    
 H   -5.192700       2.168800       1.610600    
 H    4.371000       2.957100     -0.5144000    
 H    4.394900       1.468500      -1.521700    
 H    5.763000       1.864900     -0.4659000    
 H  -0.1472000       3.096400      3.9999999E-02
 H   0.3414000       2.857500      -1.698600    
 H   0.8637000       4.270300     -0.7918000    
 H    5.256300      -1.232500     -0.7299000    
 H    4.321900      -2.763500     -0.7616000    
 H    5.692000      -2.571300      0.3543000    


%chk=000029066-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029066

0 1
O -2.010332 -0.092422 -0.958863
O 4.235454 0.998757 0.091397
O 2.379367 2.446935 -1.403019
O 3.382603 -1.468337 1.383024
O -1.560787 -1.915851 0.423678
N -4.121898 -1.126437 1.306502
N -5.844398 0.290308 1.683764
C 0.236610 -0.377437 -0.172635
C 2.929817 0.521359 -0.083949
C 1.932312 1.255609 -0.807748
C 2.544747 -0.673629 0.596585
C 0.600303 0.807564 -0.864652
C 1.199790 -1.106898 0.553461
C -3.438034 -0.593633 -1.081927
C -1.158235 -0.883855 -0.186792
C -4.267721 -0.369879 0.132826
C -5.340648 0.495702 0.392526
C -5.075600 -0.692480 2.208815
C 5.034489 1.312846 -1.115082
C 1.371278 3.304998 -2.036195
C 4.829718 -1.553263 1.113728
H -0.168525 1.358309 -1.408680
H 0.918608 -2.022333 1.080133
H -3.374558 -1.663478 -1.350972
H -3.827071 -0.009662 -1.928159
H -3.357426 -1.800048 1.428771
H -5.781108 1.238059 -0.270383
H -5.178135 -1.096364 3.212993
H 4.558309 2.115926 -1.698032
H 5.155375 0.405838 -1.739255
H 6.012284 1.637838 -0.728657
H 0.589453 3.598686 -1.310825
H 0.905390 2.804039 -2.906242
H 1.924378 4.194688 -2.370968
H 5.350022 -0.642040 1.445590
H 5.025073 -1.723157 0.037556
H 5.161197 -2.428358 1.694386


