%chk=000036321.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036321

0 1
 O   -1.524400       2.951400     -8.0000004E-03
 N    2.222900      0.2628000     -0.2887000    
 N   0.1280000     -0.6370000     -0.4281000    
 N   0.3773000       1.687600     -0.1443000    
 C    3.161400       1.105300      0.4499000    
 C    2.824300     -0.7796000      -1.118300    
 C    4.055800      0.2373000       1.332200    
 C    3.713200      -1.677700     -0.2612000    
 C    4.740700     -0.8600000      0.5195000    
 C   -1.244600     -0.5713000     -0.4454000    
 C   -1.991200      -1.871300     -0.6096000    
 C   -2.879600      -2.218800      0.5862000    
 C   -4.195700      -1.443500      0.6292000    
 C   -1.865000      0.6180000     -0.3133000    
 C   -4.053700      6.3500002E-02  0.8387000    
 C   -3.360700      0.7898000     -0.3156000    
 C   0.8902000      0.4942000     -0.2802000    
 C  -0.9990000       1.849300     -0.1431000    
 H    2.639200       1.829100       1.086500    
 H    3.768900       1.679900     -0.2595000    
 H    3.438400     -0.2941000      -1.888100    
 H    2.100800      -1.388400      -1.669700    
 H    3.450700     -0.2252000       2.122200    
 H    4.809700      0.8605000       1.825500    
 H    4.227400      -2.407200     -0.8967000    
 H    3.090100      -2.243400      0.4429000    
 H    5.456500     -0.4077000     -0.1775000    
 H    5.310100      -1.516700       1.186300    
 H   -2.580400      -1.847400      -1.534900    
 H   -1.273500      -2.691700     -0.7414000    
 H   -3.125800      -3.286600      0.5269000    
 H   -2.330800      -2.078700       1.525900    
 H   -4.800600      -1.845800       1.451500    
 H   -4.763100      -1.633800     -0.2904000    
 H   -3.535900      0.2639000       1.785000    
 H   -5.063800      0.4796000      0.9438000    
 H   -3.622400       1.851500     -0.2431000    
 H   -3.768300      0.4571000      -1.278500    
 H   0.5389000      -1.563100     -0.4160000    


%chk=000036321-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036321

0 1
O -1.321209 2.839248 0.772457
N 2.266430 0.005175 -0.288499
N 0.014788 -0.754575 -0.601269
N 0.468092 1.428644 0.249300
C 3.216699 1.117492 -0.039937
C 2.889918 -1.267640 -0.698968
C 4.291379 0.712312 0.989545
C 3.974738 -1.711233 0.316240
C 5.007904 -0.586923 0.554682
C -1.380084 -0.563347 -0.520690
C -2.229947 -1.733424 -0.978713
C -3.164538 -2.312356 0.120797
C -4.413640 -1.447146 0.415289
C -1.873453 0.634270 -0.051154
C -4.134484 -0.046172 1.010723
C -3.356784 0.919700 0.076661
C 0.900800 0.253523 -0.202495
C -0.915880 1.709696 0.349634
H 2.618049 1.975469 0.302853
H 3.704665 1.387887 -1.002144
H 3.354606 -1.144979 -1.702345
H 2.139536 -2.073256 -0.783091
H 3.810424 0.565269 1.975811
H 5.016705 1.540903 1.096192
H 4.468574 -2.625520 -0.065799
H 3.482839 -1.970725 1.273834
H 5.572028 -0.400500 -0.382929
H 5.744930 -0.902544 1.316350
H -2.854100 -1.415368 -1.838354
H -1.570590 -2.542392 -1.354908
H -3.504490 -3.313119 -0.212899
H -2.583707 -2.463754 1.051895
H -5.069974 -2.008168 1.110564
H -4.990622 -1.325704 -0.526383
H -3.583901 -0.145586 1.967092
H -5.108641 0.422131 1.255601
H -3.435971 1.951841 0.463348
H -3.840112 0.914577 -0.924191
H 0.355025 -1.631904 -0.993502


