%chk=000031928.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031928

0 1
 N   0.6039000      0.3664000      0.3193000    
 N   -2.089400      0.4672000     -0.6882000    
 N    4.345600      0.3478000      0.4078000    
 C   0.3787000      0.3141000      -1.133300    
 C  -0.4486000     -0.3975000       1.006800    
 C   0.4007000      -1.128300      -1.681700    
 C  -0.4735000      -1.880700      0.5813000    
 C  -0.9551000       1.044300      -1.420800    
 C   -1.791300      0.3247000      0.7428000    
 C  -0.5194000      -2.091500     -0.9319000    
 C    1.955400     -8.2999999E-03  0.7171000    
 C    3.025800      0.7929000     -3.8899999E-02
 C   -3.309600       1.238900     -0.9032000    
 C    5.401900       1.126900     -0.2533000    
 C    4.513400      -1.091200      0.1610000    
 C    2.917400       2.300700      0.1880000    
 C    6.787700      0.7074000      0.2396000    
 C    5.870000      -1.583300      0.6673000    
 C    7.014500     -0.7879000      4.9400002E-02
 C   -4.505600      0.5876000     -0.2612000    
 C   -5.259300     -0.3241000     -0.9872000    
 C   -4.838100      0.9083000       1.047600    
 C   -6.367700     -0.9273000     -0.3926000    
 C   -5.946300      0.3052000       1.642200    
 C   -6.711100     -0.6125000      0.9221000    
 H    1.114200      0.9015000      -1.689400    
 H  -0.2767000     -0.3563000       2.090600    
 H    1.426000      -1.516200      -1.632700    
 H   0.1317000      -1.128500      -2.745000    
 H   -1.334500      -2.383900       1.038600    
 H   0.4099000      -2.392800      0.9815000    
 H   -1.157300      0.9998000      -2.498300    
 H  -0.8392000       2.106200      -1.160600    
 H   -1.759600       1.310100       1.228500    
 H   -2.554900     -0.2751000       1.248000    
 H  -0.2431000      -3.125800      -1.169000    
 H   -1.548200      -1.975800      -1.290900    
 H    2.056900      -1.077600      0.5463000    
 H    2.070900      0.1609000       1.796000    
 H    2.966200      0.5990000      -1.115500    
 H   -3.204500       2.267000     -0.5294000    
 H   -3.505000       1.335800      -1.979700    
 H    5.350000       1.018900      -1.344700    
 H    5.339200       2.193600     -1.9300001E-02
 H    4.405900      -1.328100     -0.9055000    
 H    3.803100      -1.706000      0.7165000    
 H    3.251600       2.590500       1.191200    
 H    3.475600       2.877900     -0.5566000    
 H    1.881200       2.643500      9.2200004E-02
 H    6.892900      0.9601000       1.302500    
 H    7.559300       1.268400     -0.3000000    
 H    5.911400      -1.492000       1.760300    
 H    5.991600      -2.646600      0.4309000    
 H    7.966900      -1.084900      0.5020000    
 H    7.081200      -1.014700      -1.021700    
 H   -4.999300     -0.5783000      -2.010900    
 H   -4.260900       1.631300       1.616900    
 H   -6.962900      -1.642300     -0.9530000    
 H   -6.215600      0.5525000       2.664900    
 H   -7.574300      -1.081600       1.385000    


%chk=000031928-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031928

0 1
N 0.683458 0.116687 0.228785
N -2.053795 0.345689 -0.676218
N 4.466216 0.262589 0.297183
C 0.341814 -0.224850 -1.185559
C -0.425928 -0.346688 1.114087
C 0.175073 -1.762078 -1.395173
C -0.623064 -1.891409 1.042168
C -0.901952 0.607951 -1.575817
C -1.682762 0.479410 0.756056
C -0.836015 -2.402532 -0.407357
C 2.053549 -0.242281 0.659497
C 3.088324 0.852520 0.254269
C -3.229475 1.169969 -1.033832
C 5.579531 1.224199 0.506551
C 4.734987 -0.565806 -0.909826
C 2.896744 2.074625 1.171740
C 6.915963 0.477810 0.711449
C 6.037989 -1.377250 -0.764454
C 7.233561 -0.437704 -0.491841
C -4.529726 0.690195 -0.394584
C -4.834339 -0.693120 -0.324167
C -5.478617 1.622038 0.092668
C -6.061936 -1.133392 0.216718
C -6.711519 1.185692 0.631289
C -7.007749 -0.194956 0.694712
H 1.171406 0.126171 -1.830679
H -0.156765 -0.076991 2.154563
H 1.168863 -2.238160 -1.264113
H -0.132009 -1.963753 -2.440345
H -1.476266 -2.192744 1.681280
H 0.282340 -2.367202 1.472944
H -1.207855 0.366101 -2.612632
H -0.600621 1.686519 -1.546915
H -1.463985 1.548384 1.010391
H -2.540752 0.152718 1.371900
H -0.738382 -3.506066 -0.434520
H -1.858751 -2.144621 -0.729472
H 2.388914 -1.232120 0.277716
H 2.064783 -0.320594 1.763554
H 2.850345 1.183310 -0.790667
H -3.073094 2.250356 -0.776615
H -3.332596 1.123494 -2.137669
H 5.686085 1.924247 -0.366271
H 5.365739 1.837254 1.396907
H 4.810036 0.085978 -1.822712
H 3.885150 -1.252348 -1.075789
H 3.203613 1.844366 2.209677
H 3.453786 2.963420 0.827317
H 1.820016 2.321335 1.172270
H 6.838058 -0.134120 1.631202
H 7.726447 1.216659 0.866144
H 5.922813 -2.086881 0.077591
H 6.207790 -1.969916 -1.684456
H 8.155632 -1.020842 -0.306571
H 7.420714 0.188123 -1.389537
H -4.091839 -1.411533 -0.689440
H -5.250749 2.694909 0.052542
H -6.283659 -2.205944 0.264979
H -7.434829 1.919800 1.004627
H -7.961011 -0.536318 1.114156


