%chk=000049533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049533

0 1
 N   -4.086400      0.3907000     -8.1400000E-02
 N   0.7974000      0.1466000      0.7046000    
 C   -1.632400      0.2286000      0.2597000    
 C   -1.601000      -1.079000     -0.5391000    
 C   -3.008300      0.4272000      0.9180000    
 C  -0.5221000      0.2466000       1.308500    
 C   -2.773000      -1.138100      -1.513000    
 C   -4.102100     -0.8911000     -0.7992000    
 C   -5.381400      0.6372000      0.5530000    
 C    1.552600       1.221800      0.3085000    
 C    1.449700      -1.035000      0.4573000    
 C    2.741300      0.7152000     -0.2173000    
 C    2.676400     -0.7114000     -0.1230000    
 C   -6.493200      0.7272000     -0.4718000    
 C    1.277300       2.592400      0.3742000    
 C    1.052100      -2.354600      0.7007000    
 C    3.705200       1.623700     -0.7029000    
 C    3.551500      -1.759100     -0.4788000    
 C    2.247500       3.472300     -0.1131000    
 C    1.936300      -3.374900      0.3402000    
 C    3.444100       2.997400     -0.6442000    
 C    3.168100      -3.083900     -0.2411000    
 H   -1.467800       1.058700     -0.4425000    
 H   -1.680500      -1.939200      0.1337000    
 H  -0.6872000      -1.172900      -1.131500    
 H   -3.169700     -0.3379000       1.689800    
 H   -3.011700       1.401900       1.422300    
 H  -0.6330000     -0.5734000       2.027300    
 H  -0.5547000       1.169000       1.899100    
 H   -2.632900     -0.3870000      -2.300900    
 H   -2.794200      -2.117100      -2.005500    
 H   -4.869400     -0.9036000      -1.579700    
 H   -4.314300      -1.722700     -0.1143000    
 H   -5.622900     -0.1326000       1.296800    
 H   -5.342600       1.596600       1.084000    
 H   -6.227200       1.389500      -1.302800    
 H   -6.773300     -0.2509000     -0.8743000    
 H   -7.392700       1.140200     -1.5000000E-03
 H   0.3473000       2.975000      0.7805000    
 H   0.1160000      -2.602400       1.186300    
 H    4.643300       1.268700      -1.120100    
 H    4.515800      -1.548100     -0.9324000    
 H    2.063600       4.543100     -7.7699997E-02
 H    1.661200      -4.410200      0.5244000    
 H    4.184300       3.699900      -1.017900    
 H    3.840900      -3.893200     -0.5118000    


%chk=000049533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049533

0 1
N -4.158050 0.412004 -0.056632
N 0.796707 -0.036582 0.688315
C -1.687442 0.082257 0.202245
C -1.752305 -1.155373 -0.722234
C -3.045183 0.279469 0.914449
C -0.556058 -0.017057 1.257477
C -2.948933 -1.034414 -1.690007
C -4.261100 -0.794721 -0.916390
C -5.432942 0.754252 0.627463
C 1.491256 1.099343 0.227923
C 1.627751 -1.165188 0.531401
C 2.794640 0.697800 -0.230422
C 2.882250 -0.744039 -0.036079
C -6.554792 1.178700 -0.338228
C 1.075051 2.448633 0.194070
C 1.377519 -2.518480 0.848880
C 3.686454 1.672936 -0.733689
C 3.893313 -1.701739 -0.281554
C 1.985213 3.403368 -0.309217
C 2.404355 -3.454273 0.598214
C 3.276808 3.022979 -0.770819
C 3.650467 -3.054365 0.038542
H -1.510535 0.977480 -0.427078
H -1.874406 -2.067995 -0.099243
H -0.805740 -1.269907 -1.281446
H -3.213970 -0.583865 1.617760
H -3.016268 1.199853 1.530912
H -0.688963 -0.933343 1.862217
H -0.626503 0.841123 1.956423
H -2.783532 -0.186476 -2.382096
H -3.045138 -1.951878 -2.301669
H -5.091757 -0.654643 -1.629259
H -4.497172 -1.704819 -0.299872
H -5.792589 -0.094993 1.267411
H -5.216732 1.597127 1.312444
H -6.196531 1.978595 -1.010036
H -6.915319 0.339687 -0.959150
H -7.420446 1.561524 0.232844
H 0.082743 2.755044 0.540686
H 0.421422 -2.844988 1.270811
H 4.683167 1.387058 -1.088140
H 4.854092 -1.398651 -0.712719
H 1.689244 4.457880 -0.347767
H 2.236009 -4.510506 0.837204
H 3.956898 3.789329 -1.158165
H 4.424948 -3.806945 -0.144682


