%chk=000016525.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016525

1 1
 O   2.9899999E-02  0.6728000      0.1160000    
 N   -4.738000      0.6573000     -6.7500003E-02
 N    4.820800      0.6918000      0.2819000    
 C   -3.638500     -4.0000002E-03 -1.3000000E-02
 C   -1.217200      -1.460800      0.1044000    
 C    3.606300     -2.4499999E-02  0.2502000    
 C    1.200900      -1.450900      0.1901000    
 C   -1.189800      1.7000000E-03  8.1200004E-02
 C    1.196000     -5.4099999E-02  0.1684000    
 C  -7.2099999E-02  -2.161500      0.1570000    
 C   -2.331600      0.7039000      2.5599999E-02
 C    2.393600      0.6614000      0.1985000    
 C   -4.750400       2.142400     -9.5200002E-02
 C   -6.055200     -2.8400000E-02 -0.1059000    
 C    6.086700     -1.1800000E-02  0.3368000    
 C    4.819300       2.140900      0.2458000    
 C   -3.651200      -1.489300      1.3800000E-02
 C   -2.492900      -2.159800      6.9799997E-02
 C    3.619600      -1.419400      0.2718000    
 C    2.420000      -2.133400      0.2423000    
 C   -4.834500       2.667700       1.322000    
 C   -6.454500     -0.2629000      -1.547000    
 C    6.581800     -0.3064000      -1.066100    
 C    4.651000       2.627500      -1.180800    
 H   -2.253600       1.782700      3.7300002E-02
 H  -5.5900000E-02  -3.246700      0.1754000    
 H    2.320200       1.743100      0.1793000    
 H   -3.917300       2.548900     -0.6726000    
 H   -5.649100       2.449900     -0.6438000    
 H   -6.065900     -0.9297000      0.5108000    
 H   -6.785300      0.6427000      0.3629000    
 H    6.837800      0.6208000      0.8280000    
 H    6.064700     -0.9106000      0.9612000    
 H    4.072500       2.578700      0.9175000    
 H    5.775600       2.527900      0.6203000    
 H   -4.558700      -2.074400     -4.0800001E-02
 H   -2.499500      -3.245800      7.6800004E-02
 H    4.526200      -2.013400      0.2910000    
 H    2.449100      -3.220200      0.2554000    
 H   -3.961300       2.379800       1.917000    
 H   -4.884600       3.761400       1.312700    
 H   -5.725900       2.299500       1.841600    
 H   -7.442500     -0.7328000      -1.589300    
 H   -6.508500      0.6735000      -2.113200    
 H   -5.749900     -0.9228000      -2.064200    
 H    7.493100     -0.9118000      -1.019100    
 H    6.832400      0.6099000      -1.607100    
 H    5.843300     -0.8572000      -1.657000    
 H    4.594000       3.721200      -1.193500    
 H    3.745800       2.244100      -1.659900    
 H    5.499400       2.342700      -1.808500    


%chk=000016525-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016525

1 1
O 0.011000 0.538141 0.096264
N -4.812989 0.696196 -0.072390
N 4.834417 0.705361 0.324453
C -3.647550 -0.033819 -0.035342
C -1.215263 -1.603549 0.032170
C 3.670847 -0.027781 0.236682
C 1.241210 -1.601912 0.120019
C -1.206311 -0.160518 0.043340
C 1.229739 -0.159626 0.136719
C 0.013433 -2.302051 0.067658
C -2.363928 0.609606 0.015008
C 2.385468 0.612332 0.187218
C -4.809566 2.181323 -0.156973
C -6.156452 0.055580 -0.029972
C 6.171289 0.046561 0.350223
C 4.807390 2.194483 0.321022
C -3.675679 -1.487354 -0.050147
C -2.506510 -2.230571 -0.015770
C 3.701190 -1.480936 0.207761
C 2.533605 -2.226256 0.156760
C -4.735360 2.866399 1.225195
C -6.677978 -0.348902 -1.426036
C 6.690033 -0.379883 -1.041933
C 4.648374 2.816890 -1.085258
H -2.259891 1.695016 0.049275
H 0.014555 -3.398075 0.056611
H 2.276116 1.697481 0.187543
H -3.978363 2.509295 -0.805467
H -5.739914 2.479676 -0.672053
H -6.129794 -0.813889 0.649358
H -6.846968 0.784112 0.430635
H 6.876336 0.764331 0.802580
H 6.134500 -0.821026 1.033473
H 3.999648 2.540221 0.991921
H 5.752807 2.539521 0.772645
H -4.630777 -2.013000 -0.105733
H -2.558787 -3.324689 -0.033199
H 4.657223 -2.006924 0.225912
H 2.589376 -3.320218 0.141021
H -3.807169 2.604251 1.761858
H -4.765248 3.963545 1.102696
H -5.589590 2.573242 1.860579
H -7.688365 -0.785932 -1.338228
H -6.744779 0.526846 -2.095433
H -6.020007 -1.094025 -1.905960
H 7.674043 -0.870439 -0.936726
H 6.814911 0.490893 -1.707538
H 6.004167 -1.090429 -1.534936
H 4.604882 3.917323 -1.000787
H 3.724994 2.474517 -1.583091
H 5.501784 2.560261 -1.735326


