%chk=000028181.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028181

0 1
 N   -3.341400     -0.8952000      0.4403000    
 N   -2.106400     -0.3683000      0.5092000    
 N    4.265300      0.3639000     -3.8999999E-03
 C   -5.494600       1.266900     -9.6000005E-03
 C   -4.491000       1.401500      -1.150900    
 C   -4.830000      0.9387000       1.328500    
 C   -4.025100      8.9900002E-02  -1.783100    
 C   -4.308300     -0.4924000       1.455100    
 C   -3.931800      -1.134300     -0.8710000    
 C   -1.183200      -1.147500      4.5000002E-02
 C    2.906300     -1.2900000E-02  8.2000000E-03
 C   0.2174000     -0.7587000      3.2000002E-02
 C    4.671700       1.661500      0.4983000    
 C    5.271800     -0.5358000     -0.5314000    
 C    2.523300      -1.258400     -0.4898000    
 C    1.945000      0.8598000      0.5181000    
 C    1.179200      -1.631100     -0.4779000    
 C   0.6009000      0.4870000      0.5300000    
 C    4.461200       2.744800     -0.5459000    
 C    5.669400      -1.579300      0.4987000    
 H   -6.001600       2.233400      0.1053000    
 H   -6.272700      0.5344000     -0.2526000    
 H   -4.937600       2.014400      -1.944200    
 H   -3.615700       1.964600     -0.8025000    
 H   -4.015700       1.648500       1.521700    
 H   -5.567300       1.098200       2.125400    
 H   -4.708800     -0.1615000      -2.604500    
 H   -3.049700      0.2674000      -2.254400    
 H   -3.846000     -0.6044000       2.444500    
 H   -5.156100      -1.189600       1.459600    
 H   -4.933200      -1.570500     -0.7569000    
 H   -3.367900      -1.911000      -1.402400    
 H   -1.409200      -2.158600     -0.3435000    
 H    4.189300       1.916500       1.448600    
 H    5.741900       1.639000      0.7437000    
 H    4.969800     -0.9974000      -1.478400    
 H    6.173100      3.5300002E-02 -0.7914000    
 H    3.219000      -1.981400     -0.9006000    
 H    2.175700       1.840200      0.9195000    
 H   0.8958000      -2.604700     -0.8697000    
 H  -0.1258000       1.187500      0.9331000    
 H    5.024000       2.520200      -1.458500    
 H    3.410900       2.858900     -0.8281000    
 H    4.811900       3.708700     -0.1636000    
 H    6.056300      -1.102000       1.405700    
 H    4.833800      -2.218800      0.7961000    
 H    6.457600      -2.223700      9.6299998E-02


%chk=000028181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028181

0 1
N -3.512533 -0.599180 0.861218
N -2.182002 -0.245019 0.835871
N 4.311581 0.390490 0.053446
C -5.476788 1.184570 -0.649620
C -4.474523 0.548631 -1.654752
C -4.834237 1.564695 0.709314
C -4.302561 -0.989757 -1.556427
C -4.385128 0.355991 1.567840
C -4.136776 -1.530268 -0.099306
C -1.320930 -0.860752 0.036931
C 2.939578 0.085885 0.057085
C 0.107102 -0.531385 0.066912
C 4.902342 1.311602 1.041444
C 5.227158 -0.192502 -0.943685
C 2.385772 -0.894569 -0.826549
C 2.027932 0.744338 0.948876
C 1.009347 -1.183918 -0.817838
C 0.659317 0.438361 0.953054
C 4.829516 2.801817 0.627511
C 5.793674 -1.575262 -0.537584
H -5.893630 2.106754 -1.100373
H -6.340221 0.504539 -0.488333
H -4.790592 0.784590 -2.690191
H -3.487373 1.031924 -1.514056
H -3.952520 2.207678 0.517471
H -5.548601 2.165545 1.309447
H -5.186670 -1.491873 -1.998203
H -3.434148 -1.281972 -2.177306
H -3.831370 0.712030 2.453751
H -5.276283 -0.200051 1.919992
H -5.130469 -1.772105 0.318609
H -3.559859 -2.477358 -0.112095
H -1.621453 -1.649766 -0.676559
H 4.413537 1.165142 2.022845
H 5.961982 1.024107 1.182910
H 4.712179 -0.264969 -1.920178
H 6.064878 0.515709 -1.091620
H 3.030548 -1.447508 -1.516133
H 2.390742 1.512951 1.638037
H 0.624864 -1.944097 -1.511178
H -0.016778 0.954490 1.642877
H 5.365138 2.970198 -0.324583
H 3.782791 3.122322 0.486531
H 5.291003 3.444999 1.400461
H 6.362689 -1.502400 0.407128
H 4.980556 -2.306028 -0.385496
H 6.472717 -1.964917 -1.319397


