%chk=000018320.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018320

0 1
 N   -2.679200     -0.7526000      0.2600000    
 N    2.694600      0.7631000      0.2509000    
 C   -4.949700     -0.8940000     -0.6352000    
 C    4.948100      0.8783000     -0.6515000    
 C   -5.355700      0.4806000     -8.5299999E-02
 C    5.358600     -0.4818000     -6.9799997E-02
 C   -3.448400     -0.9818000     -0.9453000    
 C    3.444400      0.9586000     -0.9512000    
 C   -6.862800      0.5998000      0.2111000    
 C    6.868000     -0.5936000      0.2170000    
 C   -3.087300      -2.353400      -1.507400    
 C    3.078600       2.315500      -1.545300    
 C   -7.270800     -0.4455000       1.252100    
 C   -7.253100       1.995100      0.7006000    
 C    7.284800      0.4779000       1.227500    
 C    7.262300      -1.976100      0.7389000    
 C   -1.347900     -0.3770000      0.2578000    
 C    1.337100      0.3803000      0.2531000    
 C  -0.6784000     -0.1740000       1.464500    
 C   0.6640000      0.2046000       1.462400    
 C  -0.6748000     -0.2014000     -0.9513000    
 C   0.6677000      0.1773000     -0.9536000    
 H   -5.525300      -1.103300      -1.545400    
 H   -5.198000      -1.677200      8.9900002E-02
 H    5.516200       1.063900      -1.571500    
 H    5.203100       1.680000      5.0999999E-02
 H   -5.077900       1.250700     -0.8161000    
 H   -4.795100      0.7035000      0.8308000    
 H    5.074700      -1.270400     -0.7782000    
 H    4.805600     -0.6808000      0.8564000    
 H   -3.245900     -0.2096000      -1.697400    
 H    3.240000      0.1697000      -1.685300    
 H   -7.420300      0.4017000     -0.7132000    
 H    7.417800     -0.4195000     -0.7166000    
 H   -3.105200     -0.9694000       1.154700    
 H    3.108000       1.005500       1.144900    
 H   -2.029700      -2.445600      -1.768600    
 H   -3.666400      -2.560000      -2.414000    
 H   -3.309700      -3.145900     -0.7831000    
 H    2.019000       2.403400      -1.799800    
 H    3.649900       2.497800      -2.462100    
 H    3.308800       3.126700     -0.8443000    
 H   -6.641700     -0.3881000       2.147000    
 H   -7.213700      -1.461900      0.8516000    
 H   -8.310000     -0.2926000       1.564700    
 H   -6.743800       2.242900       1.638000    
 H   -8.332600       2.062800      0.8710000    
 H   -6.982800       2.753200     -4.1900001E-02
 H    6.663100      0.4437000       2.128700    
 H    7.224500       1.483600      0.8015000    
 H    8.326500      0.3326000       1.535300    
 H    6.760800      -2.199600       1.686600    
 H    8.343200      -2.039700      0.9020000    
 H    6.985800      -2.753000      1.8300001E-02
 H   -1.190900     -0.3071000       2.413900    
 H    1.174600      0.3594000       2.409400    
 H   -1.142900     -0.3365000      -1.920300    
 H    1.139500      0.2904000      -1.923600    


%chk=000018320-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018320

0 1
N -2.753143 -0.726914 0.381361
N 2.759871 0.758783 0.357290
C -5.053103 -1.055341 -0.439453
C 5.061196 1.045903 -0.474320
C -5.551934 0.392336 -0.233621
C 5.547011 -0.400676 -0.232820
C -3.545619 -1.157887 -0.782082
C 3.554082 1.152092 -0.817893
C -7.064389 0.514078 0.094068
C 7.057107 -0.528073 0.103727
C -3.173688 -2.588809 -1.258239
C 3.192947 2.572755 -1.331482
C -7.418478 -0.106228 1.468077
C -7.506308 1.996402 0.045320
C 7.409733 0.112531 1.468686
C 7.488082 -2.014304 0.081903
C -1.387996 -0.380699 0.333650
C 1.394578 0.413114 0.320825
C -0.670725 -0.161774 1.547030
C 0.680525 0.221722 1.540807
C -0.676529 -0.195215 -0.884095
C 0.679374 0.201626 -0.890563
H -5.629259 -1.529283 -1.259302
H -5.246724 -1.667097 0.467466
H 5.640463 1.494174 -1.306275
H 5.260886 1.678573 0.416840
H -5.341861 0.968198 -1.159234
H -4.961557 0.877201 0.570029
H 5.335272 -0.996097 -1.145561
H 4.949299 -0.861427 0.579598
H -3.338567 -0.447698 -1.609946
H 3.340014 0.421748 -1.626270
H -7.628830 -0.038993 -0.688260
H 7.629267 0.007394 -0.685203
H -3.123076 -0.993134 1.295634
H 3.134136 1.042494 1.264405
H -2.084063 -2.681051 -1.412095
H -3.681766 -2.835449 -2.209723
H -3.475561 -3.338084 -0.502030
H 2.103859 2.669475 -1.486462
H 3.701547 2.790300 -2.289805
H 3.501532 3.339425 -0.595714
H -6.852869 0.397397 2.276466
H -7.185550 -1.185671 1.510548
H -8.496100 0.010966 1.688215
H -6.957507 2.591236 0.801223
H -8.587541 2.101013 0.254141
H -7.304724 2.443718 -0.946135
H 6.837957 -0.374293 2.282963
H 7.183189 1.193906 1.492463
H 8.485749 -0.007333 1.695013
H 6.929800 -2.592842 0.843508
H 8.567087 -2.123601 0.299720
H 7.289921 -2.476229 -0.903520
H -1.186025 -0.291078 2.508142
H 1.198650 0.372166 2.497319
H -1.177176 -0.350538 -1.845399
H 1.176835 0.336293 -1.856640


