%chk=000045584.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045584

0 1
 N   -1.313300     -0.2664000     -0.2060000    
 N    4.112200      -2.105000      -1.410000    
 C   8.3400004E-02 -0.3451000     -0.6204000    
 C   0.8257000      -1.508500      6.4800002E-02
 C    2.248800      -1.580900     -0.3236000    
 C   -2.020800      -1.502200     -0.5446000    
 C   -1.971100      0.8829000     -0.8294000    
 C    3.338600     -0.9356000      0.3252000    
 C    4.495700      -1.280800     -0.3762000    
 C    2.756200      -2.292100      -1.386500    
 C   -3.450100      -1.477800     -7.1999997E-02
 C   -1.270400       2.175100     -0.5032000    
 C    3.451800     -8.8299997E-02   1.445400    
 C    5.765700     -0.8192000     -1.2000000E-02
 C   -3.759000      -1.950300       1.195900    
 C   -1.649800       2.893100      0.6224000    
 C   -4.438900     -0.9833000     -0.9110000    
 C  -0.2553000       2.630300      -1.332900    
 C    4.715700      0.3811000       1.821400    
 C    5.853500      2.0000000E-02   1.102500    
 C   -5.083300      -1.928100       1.633600    
 C   -1.001100       4.090400      0.9243000    
 C   -5.763100     -0.9610000     -0.4734000    
 C   0.3936000       3.827500      -1.031000    
 C   -6.085300      -1.433400      0.7989000    
 C   2.0600000E-02   4.557700      9.7599998E-02
 H   0.1754000     -0.4373000      -1.711300    
 H   0.6398000      0.5446000     -0.3122000    
 H   0.3879000      -2.476700     -0.1995000    
 H   0.7367000      -1.415800       1.154800    
 H   -1.573100      -2.379300     -6.7800000E-02
 H   -1.990900      -1.700200      -1.625400    
 H   -2.994800       1.016400     -0.4666000    
 H   -2.037400      0.7707000      -1.920800    
 H    2.275900      -2.914100      -2.129100    
 H    4.741400      -2.512400      -2.088100    
 H    2.575000      0.2045000       2.015800    
 H    6.652000      -1.099700     -0.5710000    
 H   -2.986700      -2.335200       1.856000    
 H   -2.442100       2.537800       1.275400    
 H   -4.207200     -0.6273000      -1.910900    
 H   3.6300000E-02   2.081600      -2.224100    
 H    4.809000       1.035300       2.684200    
 H    6.825200      0.3962000       1.412100    
 H   -5.334100      -2.295400       2.624500    
 H   -1.290900       4.658600       1.803400    
 H   -6.544000     -0.5792000      -1.124500    
 H    1.186900       4.193000      -1.676400    
 H   -7.116500      -1.416700       1.139400    
 H   0.5255000       5.490200      0.3323000    


%chk=000045584-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045584

0 1
N -1.297267 -0.346485 -0.639430
N 4.252206 -2.766101 -0.602612
C 0.125382 -0.663935 -0.924453
C 0.734281 -1.652431 0.107350
C 2.218218 -1.847338 -0.084474
C -2.229920 -1.409300 -1.084717
C -1.705214 0.999304 -1.114160
C 3.258847 -0.863055 0.179100
C 4.523262 -1.467741 -0.154349
C 2.865499 -2.988619 -0.556962
C -3.606537 -1.327265 -0.430214
C -1.020601 2.134332 -0.358258
C 3.244089 0.469023 0.674957
C 5.751776 -0.785459 -0.008725
C -3.731438 -1.060479 0.957101
C -0.813041 2.049986 1.042465
C -4.779987 -1.563180 -1.187846
C -0.618451 3.311524 -1.036190
C 4.465581 1.153968 0.823473
C 5.705793 0.534451 0.484611
C -5.001643 -1.033986 1.572781
C -0.220986 3.120051 1.748632
C -6.054034 -1.541139 -0.574138
C -0.029986 4.387466 -0.331925
C -6.168840 -1.276655 0.809672
C 0.171133 4.295490 1.064369
H 0.263945 -1.073569 -1.955206
H 0.697739 0.278541 -0.880067
H 0.217762 -2.629579 0.048132
H 0.523509 -1.242979 1.114576
H -1.768483 -2.380728 -0.821618
H -2.355058 -1.414146 -2.198068
H -2.800282 1.075786 -0.964001
H -1.527016 1.127583 -2.211975
H 2.441028 -3.944572 -0.859992
H 4.948238 -3.444278 -0.902800
H 2.299920 0.960189 0.938671
H 6.707117 -1.257079 -0.265982
H -2.821752 -0.863667 1.535334
H -1.111750 1.131580 1.559746
H -4.696828 -1.762123 -2.264101
H -0.762907 3.385489 -2.121649
H 4.467957 2.181810 1.203034
H 6.639022 1.095071 0.610423
H -5.084008 -0.824495 2.645622
H -0.067195 3.040561 2.831224
H -6.952886 -1.723738 -1.174214
H 0.277311 5.290409 -0.871972
H -7.155013 -1.255162 1.287213
H 0.630810 5.126369 1.611609


