%chk=000029311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029311

0 1
 O   -1.547500       1.392200      -1.524700    
 N   0.8243000      0.6267000     -0.1464000    
 C    3.189500       1.206200      0.4629000    
 C    3.865900      0.1165000     -0.4044000    
 C    1.774400      0.8200000      0.9436000    
 C    3.221100       2.545200     -0.3124000    
 C  -0.4914000      0.2754000      0.3685000    
 C    3.993100      -1.273300      0.2308000    
 C   -1.492800      0.1587000     -0.8028000    
 C    4.748800      -2.275600     -0.6419000    
 C    2.674200       3.727800      0.4749000    
 C  -0.3568000      -1.027800       1.158300    
 C   -2.907600     -0.1540000     -0.3645000    
 C    4.759700      -3.660500     -1.2600000E-02
 C   -3.302900      -1.475400     -0.2521000    
 C   -3.774100      0.8883000     -8.5500002E-02
 C   -4.606500      -1.763800      0.1520000    
 C   -5.077600      0.5998000      0.3188000    
 C   -5.493800     -0.7262000      0.4375000    
 H    3.808500       1.333800       1.362200    
 H    3.334700      2.0900000E-02  -1.359800    
 H    4.876900      0.4619000     -0.6593000    
 H    1.907300     -7.9200000E-02   1.549200    
 H    1.405800       1.594500       1.626500    
 H    4.259700       2.771700     -0.5849000    
 H    2.666100       2.455100      -1.254000    
 H  -0.8395000       1.073300       1.038200    
 H    4.498300      -1.181800       1.200000    
 H    2.992500      -1.674500      0.4281000    
 H    1.158700     -0.1030000     -0.7742000    
 H   -1.162400     -0.6054000      -1.518800    
 H    5.779400      -1.934400     -0.7916000    
 H    4.279100      -2.335200      -1.630500    
 H    1.595400       3.642000      0.6341000    
 H    3.166100       3.813800       1.448800    
 H    2.850300       4.657300     -7.6399997E-02
 H   0.2004000     -0.9095000       2.092200    
 H   0.1117000      -1.821700      0.5652000    
 H   -1.331100      -1.397500       1.488800    
 H    5.244700      -3.641300      0.9686000    
 H    5.308400      -4.361300     -0.6494000    
 H    3.741700      -4.042600      0.1141000    
 H  -0.6388000       1.610200      -1.793900    
 H   -2.623000      -2.291400     -0.4794000    
 H   -3.472100       1.929200     -0.1520000    
 H   -4.931000      -2.796300      0.2429000    
 H   -5.767700       1.407500      0.5452000    
 H   -6.508500     -0.9508000      0.7528000    


%chk=000029311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029311

0 1
O -1.178380 1.334290 -1.348269
N 0.813059 0.131405 -0.152376
C 3.067294 1.161071 0.336805
C 3.902704 0.104323 -0.441975
C 1.747089 0.585210 0.910621
C 2.842291 2.419945 -0.546100
C -0.528738 -0.339769 0.308322
C 4.271118 -1.170227 0.351652
C -1.552461 0.020315 -0.837906
C 5.233607 -2.100670 -0.422820
C 2.104741 3.580026 0.157392
C -0.566013 -1.827316 0.708744
C -2.991595 0.037603 -0.345129
C 5.582823 -3.388328 0.353957
C -3.805715 -1.118525 -0.437376
C -3.528072 1.209921 0.243919
C -5.125439 -1.113805 0.069476
C -4.847237 1.218240 0.747658
C -5.649757 0.055000 0.668031
H 3.666979 1.470360 1.221795
H 3.370112 -0.181470 -1.374885
H 4.839815 0.593676 -0.779086
H 1.989219 -0.230750 1.630202
H 1.229371 1.371448 1.490001
H 3.834205 2.776346 -0.891474
H 2.281125 2.129198 -1.456158
H -0.794537 0.286427 1.182442
H 4.740432 -0.881625 1.315549
H 3.356347 -1.742120 0.611848
H 1.257420 -0.566316 -0.768059
H -1.448146 -0.750186 -1.638483
H 6.163798 -1.544903 -0.659204
H 4.776786 -2.367622 -1.398053
H 1.052515 3.322728 0.376754
H 2.598163 3.850289 1.110857
H 2.092766 4.481543 -0.482015
H 0.162039 -2.037278 1.513611
H -0.320921 -2.474736 -0.156252
H -1.568277 -2.113651 1.072636
H 6.067870 -3.149754 1.319375
H 6.272973 -4.033411 -0.220116
H 4.672936 -3.978488 0.573588
H -0.177193 1.345581 -1.170783
H -3.412018 -2.023049 -0.919158
H -2.908990 2.112625 0.264333
H -5.744999 -2.014392 -0.011480
H -5.254743 2.132810 1.194189
H -6.674764 0.063508 1.056102


