%chk=000115896.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115896

2 1
 N   -3.744700     -0.1725000     -0.3695000    
 N    3.748300     -0.2122000      0.3680000    
 C   -4.987800      -1.051700     -0.5483000    
 C   -3.842100      0.6474000      0.9221000    
 C    4.998600      -1.097800      0.4212000    
 C    3.805900      0.7351000     -0.8357000    
 C   -2.522700      -1.093500     -0.2573000    
 C    2.526300      -1.124300      0.1977000    
 C   -6.273100     -0.2366000     -0.4835000    
 C   -5.130600       1.458100      0.9839000    
 C    6.279100     -0.2728000      0.4030000    
 C    5.089700       1.555300     -0.8513000    
 C   -1.241600     -0.2767000     -0.1411000    
 C    1.272600     -0.2665000      0.1090000    
 C   -6.362000      0.5829000      0.7964000    
 C    6.328500      0.6729000     -0.7890000    
 C   1.9600000E-02  -1.136200     -1.5400000E-02
 C   -3.523200      0.7290000      -1.583600    
 C    3.559300      0.5599000       1.673400    
 H   -4.972600      -1.799000      0.2541000    
 H   -4.894800      -1.565900      -1.511600    
 H   -2.999700       1.341900      0.9714000    
 H   -3.789500     -5.4200001E-02   1.763000    
 H    4.963400      -1.759500     -0.4526000    
 H    4.934100      -1.708200       1.329100    
 H    2.968100       1.435300     -0.7852000    
 H    3.727300      0.1240000      -1.742500    
 H   -2.665700      -1.732500      0.6222000    
 H   -2.504000      -1.729000      -1.150800    
 H    2.494700      -1.805800       1.056000    
 H    2.670800      -1.712000     -0.7166000    
 H   -7.129400     -0.9200000     -0.5306000    
 H   -6.366200      0.4205000      -1.354500    
 H   -5.119100       2.244600      0.2201000    
 H   -5.191400       1.968000       1.952300    
 H    7.138200     -0.9525000      0.3556000    
 H    6.396100      0.2929000       1.333200    
 H    5.098100       2.259600     -1.1000000E-02
 H    5.121000       2.161800      -1.763900    
 H   -1.095400      0.3588000      -1.019400    
 H   -1.262200      0.3744000      0.7368000    
 H    1.133600      0.3640000      0.9908000    
 H    1.284400      0.3803000     -0.7722000    
 H   -7.262200       1.207300      0.7758000    
 H   -6.462800     -9.2299998E-02   1.655100    
 H    7.227100       1.297300     -0.7306000    
 H    6.406400      8.8900000E-02  -1.714400    
 H   0.1059000      -1.787400     -0.8939000    
 H  -6.6699997E-02  -1.787100      0.8632000    
 H   -4.458100       1.235400      -1.831100    
 H   -2.782100       1.496300      -1.346300    
 H   -3.210200      0.1115000      -2.430800    
 H    3.258300     -0.1391000       2.459300    
 H    4.503500       1.031200       1.952300    
 H    2.821800       1.354100       1.535600    


%chk=000115896-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115896

2 1
N -3.900006 -0.080457 -0.385019
N 3.889277 -0.104873 0.356063
C -4.977199 -1.208155 -0.428812
C -4.161740 0.817049 0.853483
C 4.966113 -1.233871 0.349612
C 4.204313 0.899430 -0.784432
C -2.523458 -0.779795 -0.256398
C 2.522106 -0.788522 0.105114
C -6.418680 -0.680941 -0.367615
C -5.599902 1.357958 0.909618
C 6.407473 -0.705044 0.398206
C 5.642105 1.441191 -0.725689
C -1.286124 0.137777 -0.177754
C 1.283165 0.129743 0.081061
C -6.644099 0.221595 0.865997
C 6.684949 0.301947 -0.739742
C 0.000964 -0.729727 -0.099208
C -3.952265 0.738851 -1.669308
C 3.883508 0.595868 1.709797
H -4.767409 -1.850100 0.445613
H -4.785129 -1.787154 -1.348987
H -3.423608 1.635149 0.821289
H -3.954108 0.179786 1.732704
H 4.796758 -1.798784 -0.584800
H 4.734713 -1.889122 1.207493
H 3.462253 1.711565 -0.713112
H 4.039465 0.343386 -1.725482
H -2.587820 -1.405780 0.651809
H -2.447383 -1.453601 -1.129780
H 2.418763 -1.549608 0.900506
H 2.621784 -1.317100 -0.860024
H -7.079353 -1.566188 -0.322796
H -6.691562 -0.150640 -1.298639
H -5.778851 2.086187 0.096502
H -5.691603 1.928806 1.851802
H 7.072030 -1.583562 0.305595
H 6.637131 -0.257588 1.382842
H 5.782627 2.089068 0.159750
H 5.775198 2.097186 -1.605357
H -1.220323 0.794104 -1.065179
H -1.336670 0.786830 0.716277
H 1.195773 0.702656 1.022850
H 1.350204 0.857226 -0.749060
H -7.661692 0.645948 0.840672
H -6.577695 -0.384742 1.790907
H 7.700122 0.719471 -0.633283
H 6.658057 -0.218709 -1.717241
H 0.088646 -1.339786 -1.020559
H -0.083299 -1.440482 0.747622
H -4.968778 1.121789 -1.823690
H -3.256924 1.586894 -1.592624
H -3.672047 0.092990 -2.516043
H 3.556793 -0.119821 2.480363
H 4.894159 0.950831 1.947873
H 3.200080 1.456272 1.677115


