%chk=000121157.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121157

1 1
 O   -5.193300     -0.7833000      0.7291000    
 O    1.015500      -2.195800      0.1728000    
 N   -2.651400      0.3921000      2.4000000E-02
 N    1.086500     -7.0000002E-03 -0.6289000    
 C   -1.155900      0.3759000      0.3562000    
 C   -3.427200      0.7800000       1.288100    
 C   -3.068500      -1.016700     -0.4139000    
 C   -2.860000       1.410400      -1.095000    
 C   -4.920000      0.5688000       1.089400    
 C   -4.582400      -1.122900     -0.5134000    
 C  -0.3611000     -2.3200000E-02 -0.8731000    
 C    1.671200      -1.224400     -0.2165000    
 C    1.768500       1.211700     -0.8101000    
 C    3.191500      -1.329800     -0.3468000    
 C    2.921200       1.561400     -0.1995000    
 C    3.797800     -0.5126000      0.7504000    
 C    3.665000      0.8211000      0.8030000    
 C    1.126700       2.234400      -1.723900    
 C    3.665200      -2.782400     -0.2730000    
 C    4.310500       1.642400       1.881100    
 H  -0.8851000       1.377400      0.7112000    
 H  -0.9998000     -0.3312000       1.179900    
 H   -3.189200       1.822600       1.524300    
 H   -3.062000      0.1295000       2.091600    
 H   -2.688500      -1.712100      0.3434000    
 H   -2.629300      -1.239500      -1.389900    
 H   -2.314400       2.325700     -0.8481000    
 H   -2.535900      0.9905000      -2.049900    
 H   -3.923900       1.640600      -1.177900    
 H   -5.437500      0.7629000       2.034800    
 H   -5.357200       1.246400      0.3493000    
 H   -4.991000     -0.4923000      -1.311000    
 H   -4.861200      -2.156000     -0.7453000    
 H  -0.6028000      -1.053800      -1.153700    
 H  -0.5820000      0.5548000      -1.768600    
 H    3.493100     -0.9458000      -1.329800    
 H    3.339900       2.545600     -0.4089000    
 H    4.374200      -1.023100       1.518000    
 H   0.1913000       2.615100      -1.302700    
 H   0.9410000       1.807000      -2.715200    
 H    1.772700       3.105700      -1.884200    
 H    3.198500      -3.381000      -1.063200    
 H    4.751700      -2.846600     -0.3996000    
 H    3.409700      -3.247000      0.6866000    
 H    3.555500       2.213800       2.432100    
 H    5.033500       2.344800       1.452400    
 H    4.845800       1.020000       2.606400    


%chk=000121157-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121157

1 1
O -4.614249 -1.228095 1.357225
O 0.341040 -1.725219 -0.357756
N -2.597268 0.434613 -0.058724
N 1.106346 0.374909 -0.980102
C -1.110753 0.865144 0.004845
C -3.240986 0.821582 1.299349
C -2.700377 -1.109441 -0.214408
C -3.292078 1.159321 -1.204729
C -4.648374 0.230094 1.470277
C -4.128923 -1.615850 0.028347
C -0.311188 0.653852 -1.310482
C 1.337389 -0.953939 -0.538350
C 2.095049 1.416024 -1.090288
C 2.795029 -1.342744 -0.304739
C 3.118947 1.573948 -0.180026
C 3.223047 -0.611875 0.962020
C 3.417274 0.746704 0.994100
C 1.930018 2.383919 -2.251872
C 2.970207 -2.868197 -0.211788
C 4.011653 1.447361 2.204876
H -1.109990 1.927179 0.309424
H -0.655600 0.258257 0.802404
H -3.249168 1.923893 1.361485
H -2.572388 0.414936 2.076505
H -1.994211 -1.539618 0.512241
H -2.344652 -1.377554 -1.220835
H -3.161327 2.244678 -1.070967
H -2.843629 0.842506 -2.157197
H -4.362764 0.915933 -1.210567
H -5.002097 0.449052 2.490327
H -5.377151 0.663818 0.753198
H -4.839494 -1.278224 -0.755905
H -4.112128 -2.717190 0.022824
H -0.702833 -0.217718 -1.862777
H -0.366877 1.540151 -1.957778
H 3.384510 -0.938522 -1.154633
H 3.761924 2.450225 -0.337425
H 3.411192 -1.225248 1.852504
H 1.108556 3.112292 -2.102881
H 1.743882 1.850808 -3.202469
H 2.852793 2.972119 -2.375088
H 2.673973 -3.364334 -1.151391
H 4.027757 -3.110978 -0.009758
H 2.349623 -3.289133 0.597314
H 3.331353 2.221154 2.607148
H 4.954834 1.960175 1.934867
H 4.239008 0.733333 3.013654


