%chk=000047892.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047892

1 1
 O    4.763800       3.152400     -4.8500001E-02
 N    1.121600      -1.029800      0.4669000    
 N    3.715000       2.259000      0.1843000    
 C   -2.650300     -0.2816000      0.7011000    
 C   -3.679800      0.1077000     -0.3620000    
 C   -1.265200     -0.4866000      8.3200000E-02
 C   -5.056800      0.3477000      0.2592000    
 C  -0.2046000     -0.8821000       1.107000    
 C   -6.093000      0.7038000     -0.8063000    
 C   -7.455600      0.9759000     -0.1891000    
 C    1.908300      4.1200001E-02  0.4012000    
 C    1.456900      -2.226400     -8.5000005E-03
 C    3.157400     -6.8700001E-02 -0.1927000    
 C    2.694300      -2.395000     -0.6133000    
 C    3.550500      -1.301800     -0.7041000    
 C    4.037600       1.084200     -0.2784000    
 H   -2.967800      -1.203500       1.202900    
 H   -2.595100      0.5018000       1.466500    
 H   -3.349000       1.015700     -0.8806000    
 H   -3.748000     -0.6879000      -1.114000    
 H  -0.9538000      0.4358000     -0.4229000    
 H   -1.322900      -1.258400     -0.6944000    
 H   -5.379900     -0.5512000      0.7982000    
 H   -4.990300       1.158800      0.9946000    
 H  -0.4567000      -1.831900       1.593400    
 H  -0.1177000     -0.1303000       1.900700    
 H   -5.767200       1.591500      -1.361000    
 H   -6.181400     -0.1160000      -1.528600    
 H   -7.407900       1.813900      0.5137000    
 H   -7.825300      9.6900001E-02  0.3484000    
 H   -8.181400       1.227400     -0.9687000    
 H    1.521400      0.9624000      0.8193000    
 H   0.7425000      -3.034400      8.9900002E-02
 H    2.988100      -3.361200      -1.009200    
 H    4.521400      -1.425600      -1.176600    
 H    5.019400      0.9312000     -0.7632000    
 H    4.409200       3.973300      0.3332000    


%chk=000047892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047892

1 1
O 4.714189 3.244468 -0.085800
N 1.162630 -1.067404 0.519719
N 3.726722 2.240200 0.124209
C -2.654368 -0.293782 0.669653
C -3.709286 0.146098 -0.372318
C -1.252070 -0.477668 0.042069
C -5.114297 0.336479 0.243348
C -0.215529 -0.887942 1.110468
C -6.170954 0.786565 -0.791663
C -7.569595 0.983384 -0.168945
C 1.983569 0.020424 0.400122
C 1.543127 -2.306129 0.052229
C 3.260702 -0.088375 -0.203442
C 2.797824 -2.472105 -0.551944
C 3.663332 -1.366890 -0.682998
C 4.144370 1.074331 -0.330234
H -2.981368 -1.242670 1.141918
H -2.605649 0.462957 1.479506
H -3.386550 1.096223 -0.845949
H -3.765005 -0.607521 -1.184760
H -0.935389 0.468177 -0.440155
H -1.298890 -1.248650 -0.752017
H -5.445458 -0.613300 0.712182
H -5.061883 1.086649 1.059639
H -0.498783 -1.841510 1.588512
H -0.141078 -0.119969 1.899692
H -5.839639 1.733372 -1.264633
H -6.230125 0.035143 -1.605143
H -7.549162 1.757534 0.620771
H -7.938152 0.046090 0.288253
H -8.306405 1.298453 -0.929216
H 1.620968 0.974096 0.790430
H 0.831014 -3.122538 0.183977
H 3.087302 -3.462094 -0.910931
H 4.644822 -1.491071 -1.151431
H 5.131622 0.951253 -0.799599
H 4.315142 4.075922 0.286082


