%chk=000049531.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049531

0 1
 N    3.066200      0.8161000     -0.9664000    
 N  -0.6608000      0.1907000     -0.7077000    
 C    1.767400      0.4738000     -0.3435000    
 C    1.840900     -0.9189000      0.3124000    
 C    4.296700     -0.5973000      0.6797000    
 C    2.974800      -1.011500       1.326100    
 C    4.157700      0.7846000      2.5000000E-02
 C   0.6101000      0.4656000      -1.352800    
 C    5.425000     -0.5992000       1.709600    
 C    3.047600       2.128800      -1.618500    
 C   -1.497000       1.151900     -0.1935000    
 C   -1.188400      -1.065400     -0.5307000    
 C   -2.605800      0.4919000      0.3364000    
 C   -2.410900     -0.9097000      0.1231000    
 C   -1.356000       2.544000     -0.1578000    
 C  -0.6800000      -2.316800     -0.8972000    
 C   -3.626800       1.261100      0.9333000    
 C   -3.164900      -2.062700      0.4269000    
 C   -2.380600       3.284000      0.4386000    
 C   -1.445300      -3.443800     -0.5861000    
 C   -3.500000       2.654100      0.9768000    
 C   -2.669800      -3.321000      6.6200003E-02
 H    1.545400       1.209400      0.4432000    
 H    2.006200      -1.691200     -0.4464000    
 H   0.9361000      -1.149700      0.8777000    
 H    4.550100      -1.329700     -9.8999999E-02
 H    2.752800     -0.3615000       2.182300    
 H    3.044100      -2.035700       1.711300    
 H    3.998100       1.552100      0.7948000    
 H    5.107200       1.020500     -0.4727000    
 H   0.7675000     -0.2796000      -2.141600    
 H   0.4973000       1.425200      -1.865900    
 H    6.378300     -0.3326000       1.241300    
 H    5.231500      0.1175000       2.514900    
 H    5.538200      -1.591400       2.159000    
 H    4.045500       2.392000      -1.989400    
 H    2.717700       2.922500     -0.9387000    
 H    2.403600       2.127200      -2.502900    
 H  -0.4866000       3.046600     -0.5679000    
 H   0.2463000      -2.434500      -1.446300    
 H   -4.506100      0.7844000       1.357400    
 H   -4.122000      -1.983200      0.9346000    
 H   -2.300600       4.367100      0.4838000    
 H   -1.083700      -4.429500     -0.8673000    
 H   -4.284600       3.249400       1.436200    
 H   -3.249600      -4.210900      0.2962000    


%chk=000049531-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049531

0 1
N 3.101586 0.709744 -1.000963
N -0.653672 0.079737 -0.672885
C 1.815620 0.482155 -0.275762
C 1.915671 -0.789173 0.598566
C 4.421609 -0.463649 0.806245
C 3.106287 -0.724129 1.574236
C 4.252477 0.802029 -0.059457
C 0.645444 0.354998 -1.294678
C 5.630607 -0.324668 1.753378
C 3.081350 1.895311 -1.890289
C -1.474050 1.050708 -0.065048
C -1.321644 -1.162070 -0.631277
C -2.690309 0.424529 0.379973
C -2.593982 -0.984234 0.018224
C -1.241338 2.432364 0.113401
C -0.911186 -2.421129 -1.121526
C -3.680909 1.204782 1.020044
C -3.458804 -2.092416 0.173529
C -2.247975 3.190331 0.750068
C -1.794472 -3.510081 -0.958975
C -3.454624 2.585868 1.202433
C -3.055252 -3.352096 -0.317405
H 1.597858 1.354200 0.400073
H 2.036856 -1.665015 -0.069977
H 0.967741 -0.921327 1.150629
H 4.594919 -1.315804 0.117156
H 2.947845 0.094014 2.308829
H 3.178133 -1.664754 2.153654
H 4.144587 1.687737 0.624450
H 5.166603 0.965022 -0.661863
H 0.888403 -0.455475 -2.004616
H 0.542522 1.286277 -1.879933
H 6.570637 -0.163977 1.192636
H 5.496920 0.530726 2.443785
H 5.755919 -1.235106 2.368305
H 4.093432 2.048244 -2.304187
H 2.782504 2.836586 -1.361234
H 2.400056 1.745614 -2.744203
H -0.314581 2.908365 -0.223836
H 0.058657 -2.561618 -1.609361
H -4.613596 0.746112 1.367189
H -4.430774 -1.974996 0.665771
H -2.095210 4.264953 0.901666
H -1.500761 -4.497668 -1.332332
H -4.213133 3.202849 1.696147
H -3.715171 -4.219167 -0.206080


