%chk=000121786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121786

0 1
 O   -4.392700      -1.017000      -1.336100    
 N   -7.255600       1.265600      5.5700000E-02
 C   0.7548000     -9.7800002E-02 -0.1838000    
 C    2.094900     -0.4872000      0.4442000    
 C  -0.4489000     -0.7685000      0.4846000    
 C    3.262000      0.2012000     -0.2696000    
 C   -1.794300     -0.3229000     -9.5500000E-02
 C    4.604000     -0.2126000      0.3382000    
 C   -2.957800      -1.054800      0.5866000    
 C    5.806800      0.4655000     -0.3240000    
 C   -4.345000     -0.6733000      4.8799999E-02
 C    7.149400      3.3399999E-02  0.2666000    
 C   -4.667500      0.8147000      0.2271000    
 C    8.305000      0.7877000     -0.3738000    
 C   -6.115100       1.066000      0.1310000    
 H   0.6348000      0.9912000     -0.1259000    
 H   0.7621000     -0.3589000      -1.249300    
 H    2.219600      -1.575500      0.3909000    
 H    2.096700     -0.2121000       1.505700    
 H  -0.3505000      -1.856500      0.3834000    
 H  -0.4311000     -0.5476000       1.559200    
 H    3.146900       1.289400     -0.1988000    
 H    3.249100     -5.7700001E-02  -1.335200    
 H   -1.898400      0.7597000      3.8100000E-02
 H   -1.807600     -0.5212000      -1.173500    
 H    4.717100      -1.300800      0.2561000    
 H    4.605500      2.5699999E-02   1.409200    
 H   -2.813200      -2.133900      0.4468000    
 H   -2.926200     -0.8650000       1.666500    
 H    5.797800      0.2447000      -1.398600    
 H    5.699600       1.552800     -0.2242000    
 H   -5.095900      -1.284900      0.5645000    
 H    7.155800      0.2170000       1.347200    
 H    7.290400      -1.043300      0.1188000    
 H   -4.325100       1.157800       1.210300    
 H   -4.156200       1.412300     -0.5363000    
 H    8.343200      0.6043000      -1.452300    
 H    8.208400       1.865900     -0.2112000    
 H    9.255900      0.4627000      6.0100000E-02
 H   -4.221100      -1.971400      -1.408700    


%chk=000121786-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121786

0 1
O -4.485436 -1.123009 -1.320148
N -7.294743 1.307506 -0.400459
C 0.727670 -0.040517 -0.076624
C 2.102483 -0.529471 0.432113
C -0.463820 -0.795130 0.554614
C 3.291132 0.231756 -0.196780
C -1.834368 -0.300122 0.040540
C 4.667865 -0.250780 0.313372
C -3.019382 -1.035096 0.705184
C 5.855225 0.511475 -0.316873
C -4.406034 -0.721065 0.097197
C 7.232828 0.030977 0.194272
C -4.726945 0.792609 0.091319
C 8.412547 0.797658 -0.441812
C -6.144034 1.076089 -0.187466
H 0.626442 1.045116 0.133056
H 0.685431 -0.148183 -1.180690
H 2.207972 -1.614094 0.219444
H 2.143597 -0.424174 1.536743
H -0.363294 -1.880642 0.343224
H -0.420596 -0.688906 1.659334
H 3.183510 1.316762 0.012919
H 3.251695 0.124233 -1.301153
H -1.910425 0.790654 0.228073
H -1.892534 -0.437910 -1.057481
H 4.776443 -1.335813 0.103956
H 4.708253 -0.142436 1.417790
H -2.854286 -2.130898 0.630866
H -3.047140 -0.802353 1.790126
H 5.817341 0.402390 -1.421253
H 5.747526 1.596884 -0.108886
H -5.183458 -1.255095 0.684981
H 7.270255 0.141111 1.297528
H 7.339717 -1.053561 -0.013085
H -4.457842 1.234814 1.068819
H -4.105525 1.278635 -0.682528
H 8.413378 0.680575 -1.542167
H 8.346766 1.879982 -0.220989
H 9.385468 0.434199 -0.062497
H -4.426081 -2.109471 -1.381779


