%chk=000121868.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121868

0 1
 O   -6.357700      0.6815000     -0.1113000    
 N    3.175400      1.0500000E-02 -1.9800000E-02
 N   -2.910400      0.7713000     -0.1253000    
 N   -2.235000      -1.457600      0.1991000    
 N   -4.539100     -0.7630000      9.8999999E-02
 C    4.162000     -0.9503000     -0.5264000    
 C    3.656800      0.9755000      0.9791000    
 C    5.405500     -0.2244000      -1.037700    
 C    4.895400       1.706200      0.4652000    
 C    5.970700      0.7273000      9.2000002E-03
 C    1.824600     -0.3541000      3.4600001E-02
 C  -0.5195000      0.2607000     -5.2800000E-02
 C   -1.580000       1.327100     -0.2074000    
 C   0.8346000      0.6177000     -0.1060000    
 C  -0.8789000      -1.088600      0.1442000    
 C    1.470900      -1.687500      0.2292000    
 C   -3.246900     -0.5445000      6.6699997E-02
 C   -4.102500       1.572500     -0.2425000    
 C   0.1258000      -2.054400      0.2840000    
 C   -5.151500      0.4740000     -8.1200004E-02
 H    3.748900      -1.533700      -1.358700    
 H    4.445600      -1.649400      0.2703000    
 H    3.893700      0.4428000       1.908700    
 H    2.897200       1.726200       1.225200    
 H    5.148300      0.3449000      -1.940100    
 H    6.168100     -0.9560000      -1.326700    
 H    5.294200       2.356400       1.251900    
 H    4.614500       2.352800     -0.3758000    
 H    6.342100      0.1562000      0.8687000    
 H    6.822000       1.276700     -0.4075000    
 H   -1.450900       2.075600      0.5827000    
 H   -1.452300       1.818800      -1.178500    
 H    1.102200       1.658800     -0.2733000    
 H    2.216000      -2.467400      0.3583000    
 H   -4.190100       2.036100      -1.227700    
 H   -4.189500       2.299500      0.5682000    
 H   -2.446100      -2.438600      0.3421000    
 H  -0.1333000      -3.098900      0.4399000    


%chk=000121868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121868

0 1
O -6.519446 0.611813 -0.026039
N 3.220888 0.014153 -0.044216
N -2.955285 0.809374 -0.026164
N -2.290312 -1.469348 -0.046390
N -4.604280 -0.828768 -0.040511
C 4.255786 -1.026103 -0.228646
C 3.676598 1.177570 0.760714
C 5.560426 -0.431014 -0.802712
C 4.955648 1.812000 0.179162
C 6.071439 0.752897 0.046081
C 1.857246 -0.368449 -0.009874
C -0.544189 0.264717 -0.017020
C -1.600329 1.371156 -0.024556
C 0.818408 0.611480 -0.012172
C -0.917046 -1.107428 -0.034644
C 1.453248 -1.738946 -0.016693
C -3.285751 -0.532359 -0.038291
C -4.208154 1.572043 -0.018616
C 0.092480 -2.094872 -0.038029
C -5.279171 0.416141 -0.028973
H 3.873964 -1.783321 -0.934795
H 4.476388 -1.545364 0.736206
H 3.879922 0.848749 1.808842
H 2.874615 1.929768 0.810502
H 5.367076 -0.083082 -1.836077
H 6.321423 -1.232636 -0.858971
H 5.278215 2.641199 0.837490
H 4.729533 2.241471 -0.816116
H 6.360037 0.392165 1.055137
H 6.976715 1.194228 -0.410486
H -1.468298 2.023695 0.865112
H -1.461997 2.017990 -0.917666
H 1.076455 1.675982 -0.040865
H 2.196106 -2.539350 0.017911
H -4.322464 2.211728 -0.913583
H -4.321836 2.194832 0.888330
H -2.577859 -2.447631 -0.055497
H -0.185395 -3.155779 -0.040285


