%chk=000037809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037809

0 1
 N  -0.2059000     -0.3378000      0.4567000    
 N    3.064600       2.666900     -0.1042000    
 N   -4.923500      0.7382000     -0.4371000    
 C   0.7712000      0.5117000      1.1800000E-02
 C    1.826000     -0.2497000     -0.4508000    
 C   0.6334000       1.990700      5.7799999E-02
 C    3.084000      0.3086000      -1.021400    
 C    1.464400      -1.622500     -0.2763000    
 C   0.1900000      -1.644900      0.2945000    
 C    1.838700       2.669200      0.7213000    
 C    3.751200       1.358000     -0.1214000    
 C   -1.478500      5.8499999E-02   1.026600    
 C   -2.566600      0.1994000     -3.7400000E-02
 C    2.099100      -2.852900     -0.5493000    
 C  -0.4802000      -2.833300      0.6073000    
 C   -3.892100      0.6287000      0.5876000    
 C    3.989900       3.686100      0.4102000    
 C    1.441300      -4.049600     -0.2424000    
 C   0.1709000      -4.037500      0.3278000    
 C   -4.560100       1.752800      -1.428000    
 C   -6.218100       1.059400      0.1665000    
 H   0.5224000       2.364600     -0.9688000    
 H  -0.2639000       2.324300      0.5831000    
 H    3.802000     -0.5044000      -1.184400    
 H    2.877100      0.7368000      -2.010600    
 H    1.535500       3.712400      0.8854000    
 H    2.030400       2.243200       1.715500    
 H    3.886800      0.9705000      0.8974000    
 H    4.758700       1.501500     -0.5351000    
 H   -1.767500     -0.6977000       1.765600    
 H   -1.347700      0.9780000       1.603500    
 H   -2.209600      0.9332000     -0.7678000    
 H   -2.691900     -0.7505000     -0.5729000    
 H    3.090000      -2.882100     -0.9937000    
 H   -1.472400      -2.839200       1.045400    
 H   -3.764100       1.575500       1.128800    
 H   -4.186900     -0.1281000       1.325700    
 H    4.886300       3.748200     -0.2174000    
 H    4.300700       3.477600       1.440500    
 H    3.528000       4.679500      0.3806000    
 H    1.928800      -4.997900     -0.4522000    
 H  -0.3233000      -4.978000      0.5574000    
 H   -3.748600       1.416300      -2.080100    
 H   -4.283500       2.708600     -0.9683000    
 H   -5.402300       1.942600      -2.104900    
 H   -7.003700       1.086000     -0.5968000    
 H   -6.204700       2.025900      0.6833000    
 H   -6.509700      0.2867000      0.8867000    


%chk=000037809-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037809

0 1
N -0.219463 -0.359455 0.541690
N 3.177798 2.663104 -0.067296
N -5.016289 0.806910 -0.472754
C 0.809686 0.496574 0.076130
C 1.873760 -0.273696 -0.402091
C 0.722227 1.999184 0.106540
C 3.152742 0.278319 -0.983076
C 1.500450 -1.664298 -0.243482
C 0.182691 -1.689457 0.340590
C 1.945806 2.691087 0.761592
C 3.864077 1.342089 -0.111463
C -1.532579 0.043174 1.060664
C -2.581211 0.283460 -0.052677
C 2.144584 -2.895201 -0.538458
C -0.491655 -2.898643 0.622039
C -3.936763 0.720958 0.538271
C 4.114813 3.737035 0.335621
C 1.478427 -4.103748 -0.254784
C 0.172776 -4.105584 0.319494
C -4.792514 1.865821 -1.477802
C -6.347151 0.927947 0.158147
H 0.636449 2.397677 -0.924706
H -0.183746 2.325443 0.651357
H 3.864159 -0.555240 -1.141381
H 2.971281 0.735040 -1.977570
H 1.685014 3.756022 0.913350
H 2.119340 2.243373 1.773821
H 4.015409 0.928572 0.918426
H 4.867056 1.520530 -0.544299
H -1.885773 -0.749195 1.746630
H -1.417381 0.957493 1.672956
H -2.187335 1.050192 -0.745895
H -2.726634 -0.642893 -0.638034
H 3.146762 -2.908335 -0.982832
H -1.498722 -2.913710 1.053612
H -3.805608 1.695268 1.085884
H -4.252361 -0.026970 1.293364
H 4.974368 3.758042 -0.357956
H 4.515437 3.619750 1.374542
H 3.606651 4.716468 0.276332
H 1.965305 -5.059568 -0.479438
H -0.324216 -5.060476 0.525066
H -3.864969 1.674101 -2.042651
H -4.722823 2.890464 -1.027785
H -5.628234 1.866246 -2.199804
H -7.130360 0.904697 -0.620594
H -6.477538 1.871429 0.748884
H -6.517144 0.073500 0.837524


