%chk=000121115.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121115

1 1
 O   0.7098000     -9.6900001E-02  -1.420300    
 N    3.178200      0.3601000     -0.1409000    
 N  -0.3513000     -0.1965000      0.6739000    
 C    4.454600      0.1888000      0.6699000    
 C    2.028000     -0.3384000      0.5698000    
 C    2.862100       1.842100     -0.2824000    
 C    3.368400     -0.2521000      -1.521300    
 C    4.763700      -1.286000      0.8071000    
 C   0.7332000     -0.1970000     -0.1981000    
 C   -1.723000     -8.4299996E-02  0.3442000    
 C   -2.307500       1.171600      0.2782000    
 C   -2.459500      -1.232400      9.3199998E-02
 C   -3.659700       1.282200     -4.6200000E-02
 C   -3.811600      -1.122000     -0.2313000    
 C   -1.528500       2.418600      0.5457000    
 C   -1.845200      -2.593200      0.1596000    
 C   -4.411600      0.1354000     -0.3010000    
 H    2.231600      -1.410700      0.6386000    
 H    1.951000      9.2799999E-02   1.574300    
 H    5.260000      0.7159000      0.1457000    
 H    4.301600      0.6566000       1.649000    
 H    3.726600       2.330000     -0.7436000    
 H    1.982600       1.987300     -0.9139000    
 H    2.686900       2.254800      0.7159000    
 H    3.119400      -1.317300      -1.502000    
 H    2.763600      0.2806000      -2.259900    
 H    4.414300     -0.1177000      -1.818800    
 H    5.752000      -1.388400       1.272000    
 H    4.074000      -1.805400       1.477800    
 H    4.818800      -1.826400     -0.1406000    
 H  -0.1787000     -0.4743000       1.637800    
 H   -4.143100       2.253700     -0.1059000    
 H   -4.412400      -2.004700     -0.4337000    
 H   -2.168900       3.307400      0.5460000    
 H   -1.046600       2.369500       1.527900    
 H  -0.7643000       2.563300     -0.2250000    
 H   -1.388200      -2.762400       1.140400    
 H   -2.588600      -3.383900      1.0200000E-02
 H   -1.084000      -2.706900     -0.6190000    
 H   -5.464300      0.2214000     -0.5540000    


%chk=000121115-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121115

1 1
O 0.561884 1.128036 -0.992649
N 3.247865 0.417368 -0.148956
N -0.386069 -0.237346 0.662195
C 4.538334 -0.000285 0.620225
C 2.026114 0.130149 0.735528
C 3.352504 1.925291 -0.428644
C 3.156130 -0.331418 -1.481560
C 4.724367 -1.502403 0.856467
C 0.663180 0.385373 0.030572
C -1.784615 -0.129236 0.290297
C -2.425748 1.140707 0.246326
C -2.481044 -1.346793 0.032950
C -3.798914 1.165641 -0.104867
C -3.852211 -1.270718 -0.300398
C -1.705985 2.431589 0.578025
C -1.774370 -2.689705 0.102045
C -4.507043 -0.022054 -0.378738
H 2.103797 -0.918708 1.067531
H 2.116946 0.784278 1.621589
H 5.372705 0.402605 0.020398
H 4.506815 0.551478 1.576389
H 4.215813 2.094948 -1.090186
H 2.419712 2.248099 -0.911147
H 3.502064 2.452230 0.526956
H 2.942093 -1.393255 -1.291739
H 2.346375 0.116654 -2.073180
H 4.120290 -0.229799 -2.003011
H 5.674297 -1.633785 1.404385
H 3.936568 -1.953107 1.483436
H 4.814951 -2.076715 -0.079452
H -0.169525 -0.916231 1.400003
H -4.314920 2.130861 -0.148497
H -4.404814 -2.193496 -0.507332
H -2.428574 3.235313 0.793907
H -1.049226 2.321844 1.461716
H -1.071691 2.755605 -0.267701
H -1.447021 -2.943147 1.131571
H -2.448168 -3.499122 -0.221478
H -0.881070 -2.718225 -0.550450
H -5.568397 0.022679 -0.643228


