%chk=000157114.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157114

0 1
 O   -3.740200      -1.081600       1.756800    
 O  -0.9172000      -2.084000      0.9063000    
 O   -1.822300      -2.338400      -1.203700    
 O    6.340500      0.4818000      0.8823000    
 N   -1.286100       2.057900      0.5047000    
 N    1.423400     -0.8234000      -1.145900    
 C   -1.719200      0.6476000      0.5692000    
 C  -0.9416000     -0.2004000     -0.4966000    
 C   -2.119900       1.638100      -1.778900    
 C   -3.254200      0.7438000      0.2731000    
 C   -1.337200      0.3147000      -1.907500    
 C   -3.480100       1.330900      -1.135400    
 C   -1.324000       2.591600     -0.8640000    
 C   0.5664000     -0.1462000     -0.3069000    
 C  -0.1239000       2.464800       1.289100    
 C   -4.032900     -0.5558000      0.4681000    
 C   -1.288800      -1.661300     -0.3356000    
 C    1.350000      0.5185000      0.6262000    
 C   0.8406000       1.364100       1.744900    
 C    2.720200      0.2286000      0.3242000    
 C   -5.530200     -0.3368000      0.3391000    
 C    2.731200     -0.6102000     -0.7887000    
 C    3.956600      0.5998000      0.8953000    
 C    3.911300      -1.096000      -1.363400    
 C   -1.190200      -3.458700       1.195200    
 C    5.146300      0.1230000      0.3328000    
 C    5.121600     -0.7124000     -0.7807000    
 H   -1.597800      0.2603000       1.586800    
 H   -2.263100       2.087300      -2.767700    
 H   -3.665500       1.458900       1.003900    
 H   -1.950700     -0.3970000      -2.471200    
 H  -0.4540000      0.5014000      -2.531600    
 H   -4.076800       2.248500      -1.063000    
 H   -4.030800      0.6452000      -1.788900    
 H  -0.3163000       2.715300      -1.280800    
 H   -1.797300       3.579800     -0.8471000    
 H  -0.5034000       2.958700       2.192500    
 H   0.4479000       3.240200      0.7621000    
 H   -3.760800      -1.304500     -0.2749000    
 H   0.3632000      0.7190000       2.492500    
 H    1.678300       1.843900       2.265200    
 H    1.129300      -1.396200      -1.924900    
 H   -5.828200      7.9999998E-04 -0.6567000    
 H   -6.068700      -1.267800      0.5508000    
 H   -5.883600      0.3940000       1.075300    
 H   -4.228300      -1.917100       1.852600    
 H    3.989900       1.251200       1.764600    
 H    3.891300      -1.748000      -2.230300    
 H   -2.260500      -3.664100       1.097600    
 H  -0.8881000      -3.655300       2.227200    
 H  -0.6103000      -4.104700      0.5293000    
 H    6.049200      -1.079900      -1.213400    
 H    7.059200      6.7599997E-02  0.3744000    


%chk=000157114-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157114

0 1
O -3.659742 -1.195855 1.613318
O -0.747262 -2.254694 0.856641
O -2.031827 -2.478818 -1.065617
O 6.347155 0.629256 0.968604
N -1.216896 2.010686 0.434640
N 1.416764 -0.809496 -1.210322
C -1.741779 0.638938 0.523380
C -0.949475 -0.285532 -0.519401
C -2.059731 1.605146 -1.833581
C -3.273188 0.753994 0.223808
C -1.373879 0.216862 -1.948885
C -3.452062 1.419829 -1.182744
C -1.200989 2.544850 -0.949594
C 0.553987 -0.144249 -0.312918
C -0.161116 2.457990 1.363497
C -4.119570 -0.529774 0.365647
C -1.313950 -1.769520 -0.315351
C 1.329165 0.519356 0.646889
C 0.817188 1.333080 1.808183
C 2.720138 0.256639 0.326631
C -5.622646 -0.211253 0.457927
C 2.746749 -0.584597 -0.842443
C 3.943766 0.655506 0.923128
C 3.953091 -1.029164 -1.417912
C -1.142961 -3.624087 1.244764
C 5.145985 0.210279 0.345094
C 5.161126 -0.624080 -0.812654
H -1.605916 0.237629 1.538653
H -2.164428 2.049217 -2.841323
H -3.631170 1.454554 1.002774
H -2.069251 -0.510035 -2.407235
H -0.488729 0.296024 -2.606554
H -3.962242 2.396287 -1.092861
H -4.074962 0.785680 -1.844279
H -0.163192 2.594997 -1.357109
H -1.614441 3.575575 -0.975146
H -0.605702 2.917336 2.272423
H 0.414952 3.251950 0.849720
H -3.936661 -1.209284 -0.490615
H 0.309565 0.678199 2.543680
H 1.662084 1.799464 2.349754
H 1.107387 -1.388192 -1.988657
H -5.974225 0.323757 -0.442852
H -6.223888 -1.137455 0.544356
H -5.826364 0.422551 1.340624
H -4.300784 -1.917241 1.836093
H 3.982566 1.291097 1.812706
H 3.967527 -1.669894 -2.306300
H -2.229545 -3.650432 1.433627
H -0.575084 -3.830938 2.162599
H -0.889713 -4.342710 0.446994
H 6.119406 -0.953781 -1.235216
H 7.128971 0.261853 0.487718


