%chk=000045481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045481

0 1
 O  -0.5086000      -2.429200      6.5300003E-02
 N    1.220000     -0.9280000     -0.3504000    
 C    2.235300      -1.975600     -0.4508000    
 C    1.678500      0.4424000     -0.6209000    
 C    3.396000      -1.689300      0.4937000    
 C    3.112100      0.7124000     -0.2327000    
 C    3.938600     -0.3008000      0.2835000    
 C   -2.531900     -0.6878000     -1.7600000E-02
 C   -1.124400     -0.1594000     -0.2410000    
 C   -3.649500      0.3561000     -0.1279000    
 C  -0.1184000      -1.281400     -0.1618000    
 C   -5.046300     -0.2156000      0.1251000    
 C   -6.115900      0.8753000      3.3300001E-02
 C    3.632200       2.004100     -0.4000000    
 C    5.257400     -1.3000000E-03  0.6509000    
 C   -7.508800      0.3137000      0.3177000    
 C    4.950200       2.289200     -4.4399999E-02
 C    5.761400       1.287900      0.4831000    
 C   -8.577900       1.387500      0.1950000    
 H    1.808600      -2.958500     -0.2265000    
 H    2.574900      -1.997900      -1.494000    
 H    1.563200      0.6006000      -1.699800    
 H    1.038000       1.157800     -9.8700002E-02
 H    3.061900      -1.774000       1.535100    
 H    4.182500      -2.434500      0.3278000    
 H   -2.590300      -1.154200      0.9750000    
 H   -2.741300      -1.485800     -0.7425000    
 H   -1.053400      0.3182000      -1.224000    
 H  -0.9025000      0.5811000      0.5343000    
 H   -3.452300       1.161500      0.5905000    
 H   -3.617500      0.8083000      -1.126800    
 H   -5.257800      -1.004800     -0.6063000    
 H   -5.076600     -0.6781000       1.119000    
 H   -6.096200       1.323600     -0.9676000    
 H   -5.890500       1.674500      0.7499000    
 H    3.008300       2.796800     -0.8059000    
 H    5.899700     -0.7726000       1.068400    
 H   -7.733600     -0.4978000     -0.3842000    
 H   -7.539600     -0.1125000       1.327200    
 H    5.342500       3.293400     -0.1757000    
 H    6.786000       1.511100      0.7654000    
 H   -8.595600       1.810300     -0.8146000    
 H   -9.565600      0.9645000      0.4032000    
 H   -8.400000       2.201100      0.9054000    


%chk=000045481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045481

0 1
O -0.365892 -2.572884 0.055514
N 1.263760 -0.999253 -0.463616
C 2.315760 -2.037603 -0.490580
C 1.699154 0.366176 -0.804564
C 3.406900 -1.696367 0.541292
C 3.111006 0.690481 -0.308741
C 3.925140 -0.278826 0.336025
C -2.544109 -0.790825 -0.033934
C -1.113600 -0.248000 -0.220757
C -3.605878 0.330333 -0.054806
C -0.056916 -1.364780 -0.196824
C -5.044455 -0.200887 0.137236
C -6.119821 0.907776 0.094841
C 3.608870 2.002227 -0.507956
C 5.222722 0.093581 0.770890
C -7.556817 0.373457 0.293296
C 4.898519 2.364399 -0.067407
C 5.711311 1.402529 0.578481
C -8.628274 1.483579 0.234558
H 1.825441 -2.998758 -0.269386
H 2.756742 -2.086875 -1.507327
H 1.663785 0.517935 -1.907272
H 0.996410 1.093556 -0.363215
H 2.979747 -1.804209 1.557861
H 4.239339 -2.421035 0.462909
H -2.597780 -1.350126 0.918544
H -2.758304 -1.531017 -0.828036
H -1.046264 0.310918 -1.176773
H -0.889308 0.485872 0.582018
H -3.382090 1.071505 0.741914
H -3.547794 0.881752 -1.017559
H -5.263261 -0.953722 -0.648714
H -5.108666 -0.738305 1.106346
H -6.060283 1.440939 -0.877518
H -5.900596 1.664598 0.877413
H 2.978527 2.747485 -1.010812
H 5.853720 -0.657412 1.262578
H -7.770719 -0.389969 -0.482622
H -7.618317 -0.150777 1.268882
H 5.267654 3.383604 -0.225807
H 6.716411 1.670807 0.922211
H -8.610368 2.000224 -0.743858
H -9.644970 1.074756 0.382014
H -8.453635 2.245439 1.017963


