%chk=000055035.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055035

0 1
 O    2.206100       1.130100      0.9726000    
 N    2.448400     -0.5728000     -0.6458000    
 N   -5.098700      0.1523000     -0.4003000    
 C    1.719500     -0.1656000      0.5628000    
 C    3.727700      0.1139000     -0.4959000    
 C    3.278000       1.444100      7.1599998E-02
 C   0.2244000     -9.6299998E-02  0.3516000    
 C    2.605900      -2.015200     -0.7701000    
 C  -0.6319000     -0.8352000       1.168900    
 C  -0.3012000      0.7079000     -0.6603000    
 C   -2.011700     -0.7700000      0.9746000    
 C   -1.680900      0.7732000     -0.8548000    
 C   -2.536100      3.4200002E-02 -3.7200000E-02
 C   -3.949500      9.9299997E-02 -0.2375000    
 H    1.952100     -0.8370000       1.400500    
 H    4.265600      0.2280000      -1.441300    
 H    4.376600     -0.3966000      0.2272000    
 H    4.072900       1.960300      0.6168000    
 H    2.887400       2.110000     -0.7062000    
 H    3.119900      -2.458500      9.0400003E-02
 H    3.178400      -2.257300      -1.672200    
 H    1.629700      -2.501000     -0.8733000    
 H  -0.2378000      -1.466300       1.960900    
 H   0.3495000       1.293400      -1.304400    
 H   -2.665400      -1.352300       1.619600    
 H   -2.074700       1.405000      -1.647300    


%chk=000055035-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055035

0 1
O 2.226714 0.968927 1.202604
N 2.514362 -0.495938 -0.626154
N -5.177494 0.253919 -0.380388
C 1.724927 -0.305676 0.612548
C 3.800087 0.211963 -0.414819
C 3.318947 1.468896 0.324636
C 0.224330 -0.219059 0.367878
C 2.603019 -1.886883 -1.097718
C -0.675273 -0.600857 1.392424
C -0.286850 0.282151 -0.854179
C -2.066411 -0.477455 1.211231
C -1.674236 0.406495 -1.051577
C -2.575934 0.028464 -0.016525
C -3.997148 0.151833 -0.214270
H 1.934275 -1.095260 1.378771
H 4.281641 0.437416 -1.382384
H 4.512746 -0.373079 0.215767
H 4.079414 1.926137 0.978206
H 2.917069 2.222055 -0.379314
H 3.132749 -2.560219 -0.379824
H 3.139640 -1.919131 -2.061467
H 1.588511 -2.289084 -1.264261
H -0.283182 -0.988213 2.340250
H 0.424639 0.557956 -1.639058
H -2.761222 -0.769217 2.004884
H -2.071119 0.791460 -1.996362


