%chk=000152198.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152198

0 1
 O  -0.5396000     -0.5908000       1.221500    
 O  -0.7595000       2.966700      -1.078100    
 O   0.5885000       3.995700      0.4167000    
 N   0.2032000      0.5739000     -0.6407000    
 N  -0.1242000      -2.444400      -1.302700    
 N   -4.247400      -1.278000       1.061800    
 N   -4.831400      0.6407000      0.1082000    
 C   0.8815000       1.616900      9.0800002E-02
 C   -1.124300      -1.427000     -0.9759000    
 C    2.370600       1.670100     -0.2749000    
 C   -2.355600      -2.090000     -0.3397000    
 C  -0.4619000     -0.4604000      1.0000000E-03
 C    3.088200      0.3678000     -1.3800000E-02
 C   -3.432800      -1.087800      9.7000003E-03
 C   0.2360000       2.971900     -0.1597000    
 C    3.673400      0.1509000       1.223600    
 C    3.149300     -0.5870000      -1.016200    
 C   -3.783000      7.5099997E-02 -0.5732000    
 C    4.336900      -1.052200       1.464900    
 C    3.812600      -1.790200     -0.7752000    
 C   -5.087000     -0.1993000       1.086500    
 C    4.406500      -2.022600      0.4655000    
 H   0.7714000       1.422800       1.164600    
 H   -1.407400     -0.9014000      -1.894900    
 H    2.867900       2.476800      0.2804000    
 H    2.488800       1.940900      -1.333600    
 H   -2.785100      -2.819900      -1.038400    
 H   -2.070800      -2.644200      0.5651000    
 H   0.1877000      0.6293000      -1.655000    
 H   0.7006000      -2.003500      -1.706400    
 H   0.1823000      -2.922200     -0.4562000    
 H    3.622200      0.8999000       2.008600    
 H    2.694900     -0.4150000      -1.987600    
 H   -4.249900      -2.055000       1.710000    
 H   -3.361100      0.5588000      -1.442000    
 H    4.798600      -1.233600       2.431100    
 H    3.866800      -2.545700      -1.553500    
 H   -5.856000     -8.7099999E-02   1.837600    
 H    4.922700      -2.959600      0.6532000    
 H   -1.143100       3.860100      -1.208700    


%chk=000152198-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152198

0 1
O -0.547091 -1.422747 1.522875
O -1.067932 2.319385 -0.872423
O -1.011369 2.745281 1.424026
N 0.035006 -0.108216 -0.324155
N -0.829124 -3.597313 -0.516770
N -3.375690 -0.033288 0.894344
N -3.815986 1.560653 -0.636559
C 0.518819 1.059334 0.431148
C -1.243091 -2.198629 -0.707032
C 1.853404 1.618326 -0.142740
C -2.793559 -2.090806 -0.484351
C -0.540138 -1.215414 0.265917
C 2.990576 0.607619 -0.089203
C -3.279396 -0.672332 -0.355852
C -0.581524 2.139042 0.420001
C 3.483097 0.137528 1.155839
C 3.582121 0.118261 -1.280336
C -3.570581 0.331858 -1.285170
C 4.538057 -0.798854 1.208290
C 4.639806 -0.819423 -1.233122
C -3.702066 1.294809 0.685600
C 5.120515 -1.282159 0.012656
H 0.649157 0.739619 1.478251
H -1.021105 -1.911853 -1.752926
H 2.109644 2.520663 0.446316
H 1.680694 1.953482 -1.182618
H -3.285924 -2.607019 -1.324945
H -3.035350 -2.660279 0.433377
H -0.114650 0.040910 -1.325297
H 0.107838 -3.799889 -0.884250
H -0.903899 -3.879861 0.469543
H 3.042433 0.506804 2.090509
H 3.218295 0.478767 -2.250791
H -3.126494 -0.465121 1.785878
H -3.608977 0.255403 -2.369480
H 4.907150 -1.150063 2.178395
H 5.088480 -1.183782 -2.164271
H -3.803930 2.022048 1.486115
H 5.941320 -2.006884 0.052942
H -2.018035 2.655542 -0.885332


