%chk=000029721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029721

0 1
 O   -2.930500     -0.1051000     -0.3020000    
 O    3.463300     -0.4340000      -1.362800    
 N    5.913400     -0.2212000     -0.1121000    
 N    2.499500      0.7739000      0.4048000    
 C    4.878500      0.7713000      0.1753000    
 C    5.579800      -1.502200      0.5095000    
 C    7.216800      0.2496000      0.3551000    
 C    3.547600      0.2871000     -0.3737000    
 C    6.645100      -2.546300      0.2209000    
 C    7.607600       1.549800     -0.3269000    
 C    1.113700      0.5503000      0.2245000    
 C   0.6870000     -0.2376000     -0.8316000    
 C   0.2142000       1.122600       1.108300    
 C   -1.598000      0.1096000     -0.1277000    
 C  -0.6787000     -0.4596000      -1.009000    
 C   -1.151400      0.9007000      0.9309000    
 C   -3.815200      0.5086000      0.6343000    
 C   -5.226900      0.1303000      0.2948000    
 C   -5.961500      0.9248000     -0.5784000    
 C   -5.787700      -1.011700      0.8559000    
 C   -7.273800      0.5733000     -0.8943000    
 C   -7.100000      -1.363300      0.5397000    
 C   -7.843000     -0.5708000     -0.3354000    
 H    5.059900       1.719600     -0.3418000    
 H    4.810700      0.9720000       1.251700    
 H    5.459900      -1.402400       1.596300    
 H    4.640900      -1.911400      0.1244000    
 H    8.006900     -0.4602000      9.0400003E-02
 H    7.240600      0.3800000       1.444300    
 H    6.263600      -3.539100      0.4862000    
 H    7.552400      -2.397700      0.8146000    
 H    6.910600      -2.575000     -0.8415000    
 H    8.667100       1.758500     -0.1393000    
 H    7.049000       2.408700      5.7700001E-02
 H    7.473600       1.495300      -1.412800    
 H    2.735200       1.368100       1.196700    
 H    1.333500     -0.7121000      -1.554700    
 H   0.5524000       1.740500       1.935500    
 H   -1.022000      -1.076200      -1.835400    
 H   -1.806500       1.376500       1.652300    
 H   -3.725200       1.602400      0.5954000    
 H   -3.603300      0.1659000       1.655900    
 H   -5.527500       1.816800      -1.021800    
 H   -5.217700      -1.638100       1.536600    
 H   -7.852200       1.189800      -1.576200    
 H   -7.543200      -2.254600      0.9742000    
 H   -8.864700     -0.8449000     -0.5817000    


%chk=000029721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029721

0 1
O -3.027396 -0.033634 -0.325005
O 3.506967 -0.639200 -1.190499
N 6.070210 -0.214951 0.172393
N 2.536196 0.702255 0.475624
C 4.974139 0.753083 0.245939
C 5.888817 -1.369141 1.091085
C 7.410973 0.416438 0.252666
C 3.619252 0.177834 -0.233947
C 6.689988 -2.612780 0.662680
C 7.770360 1.251707 -0.991924
C 1.141220 0.502159 0.256403
C 0.628901 -0.340794 -0.770310
C 0.233722 1.181411 1.106866
C -1.663114 0.192950 -0.070408
C -0.760320 -0.486099 -0.924216
C -1.160810 1.034867 0.952423
C -3.997867 0.634653 0.554136
C -5.395361 0.194134 0.162542
C -6.491119 1.060080 0.400961
C -5.632328 -1.085789 -0.395274
C -7.809010 0.648629 0.100354
C -6.949350 -1.493708 -0.703959
C -8.042115 -0.631471 -0.453148
H 5.208546 1.603839 -0.421726
H 4.845074 1.188525 1.278416
H 6.142699 -1.094692 2.148451
H 4.816237 -1.635100 1.077023
H 8.150839 -0.397370 0.347586
H 7.515081 1.047582 1.174908
H 6.448222 -3.466295 1.322897
H 7.782128 -2.453322 0.715614
H 6.427707 -2.880959 -0.374691
H 8.818615 1.597589 -0.927564
H 7.135722 2.150192 -1.099151
H 7.653799 0.639111 -1.902279
H 2.774776 1.321035 1.255389
H 1.324449 -0.866836 -1.426216
H 0.614278 1.837316 1.900901
H -1.167609 -1.129190 -1.710408
H -1.829224 1.579349 1.625178
H -3.896122 1.736095 0.464266
H -3.781105 0.352174 1.607877
H -6.316872 2.060134 0.818485
H -4.781211 -1.742489 -0.598408
H -8.648552 1.327263 0.288336
H -7.122847 -2.483642 -1.140893
H -9.062783 -0.950443 -0.692270


