%chk=000045657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045657

2 1
 N   -3.961600     -0.8009000      0.1051000    
 N    3.701600     -0.6466000      9.3900003E-02
 C   -2.726600     -0.1237000     -0.4714000    
 C   -2.517200       1.247600      0.1636000    
 C   -1.328200       2.050600     -0.3803000    
 C   -4.140500      -2.166300     -0.5428000    
 C   -3.791800     -0.9708000       1.607900    
 C   -5.187300      5.7200000E-02 -0.1732000    
 C  -3.8000001E-03   1.340400     -0.2554000    
 C    2.431500      3.4499999E-02 -2.5699999E-02
 C    3.730400      -1.597900       1.324000    
 C    4.881000      0.3566000      0.2416000    
 C    4.087200      -1.546500      -1.122100    
 C   0.7571000       1.516000      0.8902000    
 C   0.4306000      0.5239000      -1.288400    
 C    1.982200      0.8591000       1.005700    
 C    1.655600     -0.1330000      -1.172700    
 H   -2.870200     -3.8400002E-02  -1.555000    
 H   -1.881100     -0.7928000     -0.2788000    
 H   -3.393700       1.887300      2.4200000E-02
 H   -2.359500       1.150400       1.243000    
 H   -1.275100       3.016500      0.1390000    
 H   -1.508700       2.297800      -1.434800    
 H   -3.251600      -2.768200     -0.3318000    
 H   -5.030800      -2.641100     -0.1198000    
 H   -4.260700      -2.023700      -1.620900    
 H   -3.872900     -2.9000000E-03   2.108300    
 H   -4.598400      -1.618100       1.967400    
 H   -2.823000      -1.440500       1.802100    
 H   -5.180000      0.9451000      0.4632000    
 H   -5.196900      0.3249000      -1.233800    
 H   -6.075600     -0.5356000      6.8700001E-02
 H    4.693700      -2.117000       1.337000    
 H    3.620500      -1.003900       2.235300    
 H    2.907800      -2.311900       1.217900    
 H    5.815000     -0.2119000      0.2854000    
 H    4.871600       1.019000     -0.6295000    
 H    4.750700      0.9232000       1.167600    
 H    5.059100      -2.006300     -0.9135000    
 H    3.330800      -2.329900      -1.230600    
 H    4.168400     -0.9151000      -2.012400    
 H    2.562400       1.010800       1.911300    
 H    1.947300     -0.7583000      -2.009200    
 H   0.4144000       2.154500       1.699500    
 H  -0.1650000      0.3884000      -2.186700    


%chk=000045657-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045657

2 1
N -4.339548 -0.682454 0.241250
N 4.072702 -0.612114 0.104675
C -3.011413 -0.168053 -0.385582
C -2.506609 1.184320 0.147351
C -1.293236 1.707144 -0.684525
C -4.637607 -2.062806 -0.354409
C -4.214284 -0.815429 1.758825
C -5.503439 0.253826 -0.093884
C 0.043478 1.002782 -0.464080
C 2.648645 -0.092662 -0.109896
C 4.080161 -1.683629 1.207875
C 4.986668 0.557733 0.515667
C 4.667952 -1.243243 -1.157328
C 0.687626 1.038420 0.802356
C 0.731505 0.385053 -1.536167
C 1.976708 0.499862 0.985414
C 2.026283 -0.161464 -1.371857
H -3.204983 -0.105683 -1.471676
H -2.267633 -0.965736 -0.210412
H -3.300350 1.949626 0.074971
H -2.216710 1.108121 1.211041
H -1.165274 2.775025 -0.423434
H -1.552152 1.689477 -1.759656
H -3.821070 -2.753368 -0.093850
H -5.586262 -2.437835 0.058886
H -4.720641 -1.973953 -1.448352
H -4.088164 0.179523 2.207975
H -5.132449 -1.279033 2.150763
H -3.347643 -1.452076 1.994348
H -5.341612 1.233582 0.376550
H -5.573724 0.365483 -1.186644
H -6.434136 -0.187361 0.294360
H 5.111494 -2.044271 1.342771
H 3.716280 -1.248305 2.148149
H 3.423904 -2.510539 0.899210
H 6.008682 0.173582 0.655980
H 4.967643 1.314953 -0.281742
H 4.621580 0.997503 1.453650
H 5.680857 -1.597129 -0.913850
H 4.049054 -2.095711 -1.472687
H 4.729333 -0.489455 -1.955287
H 2.438431 0.575901 1.975339
H 2.513105 -0.608507 -2.241190
H 0.201283 1.528449 1.653594
H 0.274263 0.352952 -2.531389


