%chk=000003749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003749

0 1
 O   -2.865700      -2.302200      -1.620500    
 N   -3.732300     -4.0700000E-02  0.9757000    
 N   -2.517400     -0.1004000     -0.9194000    
 N    2.957300     -0.3878000       2.413300    
 N    3.428000       1.714900       1.717300    
 N    2.375200      0.5728000       3.144800    
 N    2.626600       1.834400       2.768700    
 C   -3.856200      -1.407600      0.4183000    
 C   -3.350200      -2.444600       1.426200    
 C   -5.327600      -1.733800      0.1427000    
 C   -4.604900      -3.157100       1.918100    
 C   -5.524900      -3.134100      0.7100000    
 C   -3.023200      -1.369500     -0.8479000    
 C   -2.963800      0.5930000      0.1453000    
 C   -2.580100       2.023900      0.3462000    
 C   -1.653100      0.3847000      -1.980900    
 C   -3.619800       2.957500     -0.2635000    
 C  -0.2011000      0.1677000      -1.666500    
 C   -3.294500       4.434100     -2.5699999E-02
 C   0.2160000      -1.055100      -1.154000    
 C   0.7113000       1.191600      -1.891000    
 C   -4.381300       5.339300     -0.5850000    
 C    1.565000      -1.256700     -0.8617000    
 C    2.060400      0.9901000      -1.598900    
 C    2.487100     -0.2342000      -1.084200    
 C    3.886500     -0.4436000     -0.7819000    
 C    4.420300     -0.1497000      0.4754000    
 C    4.715500     -0.9546000      -1.783400    
 C    5.774800     -0.3654000      0.7291000    
 C    6.070000      -1.170200      -1.529600    
 C    3.602200      0.3788000       1.536100    
 C    6.599700     -0.8757000     -0.2734000    
 H   -2.799000      -2.001200       2.262500    
 H   -2.685200      -3.172700      0.9458000    
 H   -5.989700      -1.033300      0.6668000    
 H   -5.589300      -1.700700     -0.9202000    
 H   -4.395600      -4.173200       2.264200    
 H   -5.054700      -2.598300       2.747400    
 H   -6.567500      -3.330600      0.9757000    
 H   -5.209200      -3.886700     -2.2100000E-02
 H   -1.589200       2.232900     -6.4700000E-02
 H   -2.518100       2.205400       1.426400    
 H   -1.863900       1.442400      -2.165500    
 H   -1.889500     -0.1631000      -2.901300    
 H   -4.605400       2.729600      0.1626000    
 H   -3.703300       2.770400      -1.341100    
 H   -3.188400       4.623000       1.048800    
 H   -2.336200       4.682600     -0.4962000    
 H  -0.4617000      -1.881400     -0.9811000    
 H   0.3917000       2.149600      -2.291600    
 H   -4.128400       6.389200     -0.4072000    
 H   -4.494600       5.195000      -1.664200    
 H   -5.345300       5.136500     -0.1076000    
 H    1.881800      -2.218100     -0.4641000    
 H    2.766100       1.798000      -1.777700    
 H    4.321800      -1.190800      -2.769500    
 H    6.205400     -0.1411000       1.702300    
 H    6.712300      -1.567500      -2.310000    
 H    7.654400      -1.043600     -7.5900003E-02
 H    1.778300      0.3576000       3.936300    


%chk=000003749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003749

0 1
O -3.783176 -2.354830 -2.395035
N -3.927913 -0.872539 0.939082
N -2.835688 -0.622227 -1.075039
N 4.097679 3.249585 1.033096
N 2.239151 1.905433 1.242031
N 3.055606 3.871494 1.661262
N 1.913492 3.091343 1.804292
C -4.453105 -1.930489 0.008711
C -4.211821 -3.347628 0.615270
C -6.013763 -1.828578 -0.148536
C -5.464124 -3.584601 1.487163
C -6.613724 -3.068474 0.586377
C -3.694502 -1.716662 -1.311794
C -3.025747 -0.175658 0.277515
C -2.259611 0.975173 0.872593
C -1.943372 -0.094900 -2.118510
C -2.685612 2.375162 0.349516
C -0.465607 -0.118667 -1.747598
C -1.955034 3.508470 1.105891
C 0.115146 -1.253142 -1.129232
C 0.359045 0.996566 -2.030524
C -2.317822 4.909842 0.570215
C 1.478316 -1.255887 -0.772659
C 1.722173 0.994045 -1.675309
C 2.297497 -0.123107 -1.017988
C 3.737113 -0.124891 -0.617912
C 4.338467 0.920689 0.152453
C 4.564911 -1.189677 -1.063050
C 5.738780 0.899383 0.399776
C 5.949239 -1.214415 -0.795770
C 3.560762 2.009478 0.771835
C 6.543732 -0.154266 -0.073104
H -3.262441 -3.390695 1.175975
H -4.172117 -4.079832 -0.214583
H -6.346202 -0.883164 0.312618
H -6.293170 -1.813125 -1.216446
H -5.585482 -4.642465 1.781665
H -5.394283 -2.972995 2.405567
H -7.523161 -2.812581 1.157894
H -6.887567 -3.846530 -0.150856
H -1.173644 0.841000 0.708190
H -2.438365 0.930051 1.961468
H -2.246113 0.932472 -2.394536
H -2.134771 -0.742537 -2.998630
H -3.781315 2.492307 0.466691
H -2.468692 2.466246 -0.734135
H -2.210404 3.445021 2.183063
H -0.860325 3.350229 1.040604
H -0.507829 -2.127938 -0.909221
H -0.070900 1.878259 -2.522304
H -1.794349 5.703727 1.134274
H -2.038791 5.013645 -0.495933
H -3.404905 5.099852 0.651296
H 1.905404 -2.126455 -0.261821
H 2.345809 1.866242 -1.902335
H 4.111431 -1.988551 -1.659838
H 6.179509 1.711286 0.987244
H 6.561242 -2.046573 -1.160190
H 7.619631 -0.155816 0.130675
H 3.108714 4.832599 1.997085


