%chk=000080364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080364

0 1
 O   -7.087700       1.332900     -0.1157000    
 O    7.108500      -1.326500     -0.1215000    
 N   -8.120900     -0.7200000     -0.1450000    
 N    8.143400      0.7243000     -7.2800003E-02
 C  -0.6242000     -0.4368000      0.1503000    
 C   0.6003000      0.4809000      9.8899998E-02
 C   -1.954200      0.3227000      0.1445000    
 C    1.898000     -0.3305000      7.9300001E-02
 C   -3.179800     -0.5941000      0.1218000    
 C    3.158400      0.5364000      7.9999998E-04
 C   -4.476400      0.2196000      4.4399999E-02
 C    4.494400     -0.2172000     -1.1000000E-03
 C   -5.717900     -0.6689000     -1.8999999E-02
 C    5.737200      0.6718000     -1.2900000E-02
 C   -7.019700      0.1075000     -8.8900000E-02
 C    7.040600     -0.1022000     -6.3199997E-02
 H  -0.5991000      -1.116900     -0.7104000    
 H  -0.5733000      -1.062700       1.049800    
 H   0.5490000       1.111700     -0.7965000    
 H   0.5961000       1.149800      0.9677000    
 H   -1.981800      0.9804000     -0.7334000    
 H   -2.001500      0.9721000       1.027400    
 H    1.949600     -0.9529000      0.9812000    
 H    1.886800      -1.015600     -0.7774000    
 H   -3.118300      -1.266300     -0.7423000    
 H   -3.187900      -1.220900       1.021400    
 H    3.155100       1.232300      0.8495000    
 H    3.105900       1.154500     -0.9045000    
 H   -4.450700      0.8687000     -0.8400000    
 H   -4.545400      0.8826000      0.9160000    
 H    4.533600     -0.8700000      0.8804000    
 H    4.518900     -0.8837000     -0.8728000    
 H   -5.662900      -1.318300     -0.9011000    
 H   -5.755700      -1.313900      0.8673000    
 H    5.704200       1.336400     -0.8846000    
 H    5.747500       1.301300      0.8850000    
 H   -9.058800     -0.3373000     -0.2021000    
 H   -8.041000      -1.731700     -0.1287000    
 H    9.082100      0.3415000     -0.1151000    
 H    8.064100       1.735500     -3.4100000E-02


%chk=000080364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080364

0 1
O -7.197826 0.963077 -0.974759
O 7.192828 -0.932444 -1.013489
N -8.155335 -0.526975 0.518939
N 8.151251 0.510552 0.525123
C -0.618131 -0.466119 -0.049661
C 0.614027 0.466320 -0.039597
C -1.961969 0.296553 -0.034325
C 1.957938 -0.296389 -0.041802
C -3.194244 -0.635809 -0.048247
C 3.190057 0.636249 -0.034959
C -4.532046 0.134852 -0.030456
C 4.528069 -0.134246 -0.037378
C -5.759382 -0.803493 -0.033303
C 5.755083 0.804431 -0.017497
C -7.077871 -0.037199 -0.207508
C 7.073409 0.043803 -0.215750
H -0.576473 -1.117961 -0.947347
H -0.571351 -1.144213 0.828433
H 0.571974 1.137901 -0.922583
H 0.567614 1.124809 0.853326
H -2.008954 0.976287 -0.910337
H -2.004130 0.946456 0.864788
H 2.000389 -0.966443 0.842372
H 2.004764 -0.956131 -0.932990
H -3.154076 -1.280773 -0.951422
H -3.143678 -1.320308 0.825065
H 3.140418 1.299718 0.854494
H 3.148746 1.302562 -0.922438
H -4.604541 0.800919 -0.910442
H -4.572745 0.791444 0.861753
H 4.569565 -0.813117 0.837958
H 4.600253 -0.777684 -0.934076
H -5.673114 -1.504802 -0.888856
H -5.780360 -1.422008 0.885667
H 5.666315 1.528561 -0.853528
H 5.777988 1.397811 0.917850
H -9.062882 -0.074058 0.409735
H -8.067101 -1.322072 1.148697
H 9.058543 0.060754 0.401804
H 8.063479 1.285685 1.179346


