%chk=000132199.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132199

0 1
 O  -0.2028000       1.966500      0.4533000    
 O  -0.7890000      -1.281400       2.786400    
 N    4.879100      0.6880000     -0.8501000    
 N    1.261600      0.6356000     -0.7726000    
 N   -2.303800      7.5400002E-02   1.757700    
 C    3.021800      0.5489000      0.9670000    
 C    2.497600       1.227700     -0.3142000    
 C    3.561900     -0.8484000      0.6136000    
 C    4.216700       1.382900       1.459300    
 C    3.593800       1.181000      -1.398000    
 C    4.694500     -0.7143000     -0.4171000    
 C    5.250100       1.504800      0.3265000    
 C   1.4800000E-02   1.059700     -0.3459000    
 C   -1.100200      0.2924000     -0.9968000    
 C   -2.456800      0.8289000     -0.6073000    
 C  -0.9896000      -1.187800     -0.7479000    
 C   -2.958300      0.7399000      0.7000000    
 C   -1.113100      -1.741700      0.5315000    
 C   -3.207400       1.523300      -1.575800    
 C  -0.7419000      -2.046100      -1.835300    
 C   -1.363800     -0.9395000       1.750300    
 C   -4.156200       1.397500       1.026800    
 C  -0.9715000      -3.128300      0.7106000    
 C   -4.415400       2.137900      -1.248800    
 C  -0.6119000      -3.422400      -1.652300    
 C   -4.885400       2.083100      5.6699999E-02
 C  -0.7247000      -3.963500     -0.3777000    
 H    2.247500      0.4813000       1.738800    
 H    2.284100       2.279700     -8.1500001E-02
 H    2.759200      -1.477800      0.2121000    
 H    3.938400      -1.344700       1.516000    
 H    4.672900      0.9056000       2.334900    
 H    3.883000       2.380100       1.769800    
 H    3.299600      0.5576000      -2.252300    
 H    3.740800       2.186700      -1.812500    
 H    5.632500      -1.098300      3.3000000E-03
 H    4.482800      -1.347400      -1.287900    
 H    5.357300       2.555100      2.7400000E-02
 H    6.239200       1.201100      0.6913000    
 H    1.327600     -0.1488000      -1.413900    
 H  -0.9711000      0.4670000      -2.075600    
 H   -2.842600       1.608700      -2.597100    
 H  -0.6428000      -1.644200      -2.841200    
 H   -2.608100      0.3540000       2.688100    
 H   -4.545100       1.363600       2.042600    
 H   -1.062400      -3.577300       1.697100    
 H   -4.977200       2.672300      -2.009000    
 H  -0.4196000      -4.068300      -2.503800    
 H   -5.817900       2.572400      0.3218000    
 H  -0.6224000      -5.034300     -0.2292000    


%chk=000132199-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000132199

0 1
O -0.051014 2.419866 -0.545015
O -0.152836 -1.580589 2.304769
N 4.822995 0.092004 -0.323149
N 1.258217 0.518523 -0.830395
N -1.638347 0.014291 1.570165
C 2.872007 1.176376 1.014634
C 2.536629 1.181474 -0.510207
C 3.115674 -0.271689 1.517778
C 4.171249 2.007135 1.205999
C 3.737014 0.489837 -1.260002
C 4.287342 -0.890519 0.672224
C 5.324768 1.304945 0.395774
C 0.055026 1.189679 -0.828202
C -1.184941 0.364115 -1.325057
C -2.457743 0.833750 -0.632490
C -1.032511 -1.149084 -1.239201
C -2.628714 0.653570 0.765796
C -0.895800 -1.815987 0.014498
C -3.476136 1.488495 -1.359572
C -1.006773 -1.923687 -2.426786
C -0.857756 -1.121476 1.346488
C -3.780432 1.166379 1.414309
C -0.715158 -3.223887 0.047702
C -4.631297 1.990033 -0.722054
C -0.851240 -3.325632 -2.386078
C -4.776248 1.835812 0.675539
C -0.702048 -3.980129 -1.140449
H 2.034980 1.641117 1.564119
H 2.421604 2.234768 -0.826409
H 2.192198 -0.873241 1.445115
H 3.378932 -0.238871 2.591520
H 4.417873 2.057274 2.283299
H 4.014822 3.046502 0.858400
H 3.392661 -0.419399 -1.791272
H 4.163255 1.169994 -2.018767
H 5.126992 -1.205215 1.317679
H 3.951517 -1.784058 0.113235
H 5.758844 1.988805 -0.356501
H 6.144345 0.983068 1.063000
H 1.260878 -0.486281 -1.023182
H -1.273359 0.636660 -2.394795
H -3.342905 1.635993 -2.437749
H -1.108239 -1.415118 -3.392985
H -1.567564 0.337926 2.541661
H -3.898673 1.024577 2.495404
H -0.577729 -3.700225 1.023540
H -5.400183 2.508163 -1.304195
H -0.839256 -3.901866 -3.317643
H -5.662176 2.226930 1.187121
H -0.574943 -5.066907 -1.098512


