%chk=000016430.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016430

1 1
 O   -1.106100      6.0000001E-03   2.286000    
 N    4.009700      0.4426000     -0.1758000    
 N   -2.527300       1.659400      0.9111000    
 C    3.270100       1.158800      0.9450000    
 C    3.391800      0.8208000      -1.514200    
 C    5.475100      0.8529000     -0.1595000    
 C    3.901900      -1.062100      2.5599999E-02
 C  -0.7235000      4.4399999E-02  0.9008000    
 C    1.864000      0.7668000      0.9314000    
 C  -0.9585000      -1.344100      0.2866000    
 C   -1.570900       1.096200      0.1720000    
 C   0.7071000      0.4422000      0.9137000    
 C  -9.5899999E-02  -1.781200     -0.6882000    
 C   -2.021100      -2.086700      0.7392000    
 C   -1.277500       1.355500      -1.136000    
 C  -0.3096000      -3.041700      -1.245800    
 C   -2.234600      -3.347300      0.1817000    
 C   -1.378800      -3.824900     -0.8109000    
 C   -2.063700       2.313100      -1.766900    
 C   -3.270700       2.584900      0.2644000    
 C   -3.081400       2.944300      -1.060200    
 H    3.753300      0.8864000       1.889900    
 H    3.387600       2.236500      0.7858000    
 H    3.402700       1.911100      -1.607400    
 H    3.999900      0.3726000      -2.306700    
 H    2.372500      0.4354000      -1.582900    
 H    5.902100      0.5736000      0.8083000    
 H    5.992400      0.3301000     -0.9696000    
 H    5.533200       1.935500     -0.3061000    
 H    4.278100      -1.307700       1.023400    
 H    2.866600      -1.386500     -8.9000002E-02
 H    4.518400      -1.550600     -0.7359000    
 H   0.7276000      -1.191700      -1.070000    
 H   -2.705500      -1.727300       1.500900    
 H  -0.4793000      0.8738000      -1.686100    
 H   -1.376600      0.8987000       2.561100    
 H   0.3528000      -3.411200      -2.023300    
 H   -3.069100      -3.955700      0.5177000    
 H   -1.546200      -4.805500      -1.246700    
 H   -1.882200       2.569100      -2.806400    
 H   -4.051100       3.047900      0.8594000    
 H   -3.706200       3.694300      -1.531400    


%chk=000016430-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016430

1 1
O -0.068043 -0.347475 1.471058
N 4.250902 0.412743 0.263012
N -1.804086 1.456649 1.333701
C 3.430311 1.239165 -0.799968
C 4.185970 -1.073022 -0.086735
C 5.697191 0.892721 0.226664
C 3.659863 0.631141 1.658648
C -0.384577 -0.055158 0.067744
C 2.020689 0.888413 -0.740096
C -0.842561 -1.322761 -0.676088
C -1.514613 1.026006 0.076012
C 0.873805 0.506583 -0.493496
C -0.568242 -1.508280 -2.052386
C -1.603834 -2.287258 0.025635
C -2.189956 1.497599 -1.066871
C -1.058735 -2.650149 -2.725782
C -2.089790 -3.428372 -0.648415
C -1.822593 -3.611633 -2.025848
C -3.204209 2.464698 -0.884708
C -2.786835 2.383240 1.510979
C -3.509673 2.915839 0.421739
H 3.608579 2.303010 -0.558418
H 3.893118 1.016341 -1.778454
H 4.637861 -1.229776 -1.078485
H 4.742185 -1.640642 0.674732
H 3.132577 -1.387850 -0.098283
H 5.734534 1.954971 0.513367
H 6.292527 0.297746 0.935595
H 6.097507 0.765281 -0.791079
H 3.668742 1.708969 1.883619
H 2.625471 0.252926 1.679934
H 4.281692 0.088578 2.387449
H 0.033732 -0.772112 -2.599643
H -1.788911 -2.149062 1.095125
H -1.949297 1.108189 -2.060096
H -0.650295 0.340999 1.972938
H -0.844109 -2.789993 -3.790775
H -2.674417 -4.175022 -0.100648
H -2.202151 -4.497039 -2.546687
H -3.755464 2.853394 -1.746530
H -2.989749 2.691538 2.540769
H -4.294019 3.657565 0.595771


