%chk=000149909.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149909

0 1
 O  -0.6318000     -0.3472000       2.064000    
 O    1.124500       3.055000     -0.6044000    
 N   0.1664000       1.370700      0.6965000    
 N   -3.756000     -0.7066000     -0.6065000    
 C  -0.9773000       2.217000       1.019700    
 C   -2.293800       1.574800      0.5595000    
 C   -2.290500       1.231300     -0.9350000    
 C   -3.591500      0.5410000      -1.343500    
 C   -1.005000       2.495100       2.519200    
 C   0.1991000      8.6400002E-02   1.268800    
 C    1.143500       1.908400     -0.1614000    
 C    2.310200     -0.2910000     -7.4000000E-03
 C    1.332100     -0.7784000      0.8706000    
 C    2.257800       1.008200     -0.5309000    
 C   -5.028600      -1.343800     -0.9495000    
 C   -2.642600      -1.617000     -0.8796000    
 C    3.386600      -1.137000     -0.3752000    
 C    1.412600      -2.080900       1.379600    
 C    3.251200       1.468900      -1.404100    
 C    3.452500      -2.439200      0.1424000    
 C    4.373400     -0.6612000      -1.251800    
 C   -6.179500     -0.3978000     -0.6653000    
 C   -2.789700      -2.883200     -5.7900000E-02
 C    2.471500      -2.906800       1.014000    
 C    4.304900      0.6333000      -1.762100    
 H  -0.8823000       3.182700      0.5101000    
 H   -3.111000       2.282500      0.7553000    
 H   -2.528400      0.6916000       1.160000    
 H   -2.222600       2.173000      -1.497100    
 H   -1.408200      0.6647000      -1.242700    
 H   -4.392100       1.256100      -1.128800    
 H   -3.588200      0.3706000      -2.427900    
 H   -1.739400       3.279100       2.737500    
 H  -3.0099999E-02   2.852000       2.869800    
 H   -1.285000       1.631400       3.127600    
 H   -5.061000      -1.665300      -1.997900    
 H   -5.206100      -2.224100     -0.3236000    
 H   -2.566400      -1.868100      -1.944900    
 H   -1.685100      -1.192500     -0.5723000    
 H   0.6598000      -2.470600       2.059500    
 H    3.220900       2.473800      -1.816600    
 H    4.270900      -3.102800     -0.1289000    
 H    5.206700      -1.296100      -1.545400    
 H   -7.121200     -0.9590000     -0.6720000    
 H   -6.283900      0.3805000      -1.427700    
 H   -6.092900      7.2200000E-02  0.3206000    
 H   -1.847800      -3.443700     -7.9700001E-02
 H   -3.556500      -3.556300     -0.4534000    
 H   -3.010400      -2.665600      0.9930000    
 H    2.533200      -3.917100       1.408200    
 H    5.074900      0.9904000      -2.439800    


%chk=000149909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149909

0 1
O -0.680244 -0.453949 1.926350
O 1.061491 3.035277 -0.683969
N 0.171598 1.295615 0.618545
N -3.926972 -0.791999 -0.891505
C -1.049415 2.150047 0.886143
C -2.349882 1.503460 0.347068
C -2.293560 1.125798 -1.147646
C -3.595275 0.448332 -1.638352
C -1.139350 2.528146 2.379998
C 0.251176 -0.002931 1.193316
C 1.189379 1.867342 -0.206883
C 2.512332 -0.276680 0.073036
C 1.472064 -0.807907 0.896909
C 2.395105 1.036555 -0.479304
C -5.373232 -1.131085 -0.932977
C -3.059554 -1.946040 -1.250447
C 3.686865 -1.069179 -0.202434
C 1.592891 -2.097781 1.436723
C 3.419212 1.553812 -1.287889
C 3.779229 -2.382195 0.364339
C 4.714143 -0.511869 -1.031649
C -6.235314 -0.235277 -0.021908
C -2.866161 -2.929241 -0.078408
C 2.749576 -2.885174 1.169006
C 4.580594 0.776474 -1.563824
H -0.846083 3.066380 0.304119
H -3.157033 2.249039 0.503553
H -2.617435 0.611800 0.936044
H -2.111995 2.026851 -1.768941
H -1.432914 0.451202 -1.327855
H -4.431036 1.159849 -1.500981
H -3.518015 0.258284 -2.740434
H -1.966191 3.248345 2.519635
H -0.206996 3.012849 2.721421
H -1.336322 1.644224 3.007073
H -5.771610 -1.098463 -1.980728
H -5.480464 -2.177904 -0.593590
H -3.457307 -2.488513 -2.145991
H -2.068857 -1.552981 -1.542560
H 0.779936 -2.476753 2.064539
H 3.300351 2.562458 -1.696411
H 4.669015 -2.989078 0.159472
H 5.608547 -1.109242 -1.244264
H -7.293056 -0.558362 -0.052247
H -6.202283 0.825277 -0.331084
H -5.873812 -0.297352 1.019313
H -2.216920 -3.773087 -0.381669
H -3.828360 -3.353119 0.263431
H -2.399829 -2.406253 0.774736
H 2.828962 -3.889227 1.597991
H 5.370806 1.193627 -2.196206


