%chk=000077939.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077939

1 1
 O    4.287600       1.915700     -0.2632000    
 O    1.300900      -2.088600     -0.1553000    
 O   -3.012100       1.342600     -0.3583000    
 N    1.757800      0.6969000     -0.1461000    
 N   -3.421800      -1.418500     -0.3668000    
 N   -4.429300      -1.835500     -0.4098000    
 C    2.695300      0.3603000      -1.226500    
 C    1.983800       1.997400      0.4939000    
 C   0.4669000      0.1615000     -0.2011000    
 C    4.127000      0.5847000     -0.7534000    
 C    3.454000       2.136000      0.8739000    
 C   0.2428000      -1.231000     -0.2059000    
 C  -0.6575000       1.010500     -0.2537000    
 C   -1.950400      0.4901000     -0.3087000    
 C   -1.050200      -1.751300     -0.2609000    
 C   -2.146800     -0.8908000     -0.3122000    
 C    1.355500      -2.984800      0.9525000    
 C   -3.168200       2.247300      0.7331000    
 C    2.803600      -3.301400       1.259700    
 C   -4.639100       2.559000      0.9087000    
 H    2.484900       1.019300      -2.078500    
 H    2.597800     -0.6693000      -1.581700    
 H    1.375300       2.106000       1.399500    
 H    1.715200       2.796300     -0.2081000    
 H    4.405300     -0.1299000      3.0700000E-02
 H    4.821500      0.4488000      -1.588400    
 H    3.650200       3.147000       1.244800    
 H    3.728800       1.431800       1.668600    
 H  -0.5283000       2.090100     -0.2756000    
 H   -1.210500      -2.826600     -0.2728000    
 H   0.8876000      -2.541600       1.840400    
 H   0.8210000      -3.904900      0.6929000    
 H   -2.778100       1.813700       1.662300    
 H   -2.616800       3.168100      0.5140000    
 H    2.882600      -3.997800       2.099200    
 H    3.295700      -3.742500      0.3866000    
 H    3.353400      -2.386800       1.505700    
 H   -4.794600       3.261100       1.732600    
 H   -5.053800       2.992100     -7.6000001E-03
 H   -5.204900       1.643900       1.112300    


%chk=000077939-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077939

1 1
O 4.322249 1.998279 0.150962
O 1.545893 -1.941808 0.137842
O -3.214288 1.047153 0.423283
N 1.659895 0.870518 -0.148800
N -3.287462 -1.607550 0.594267
N -4.351252 -2.075279 0.743420
C 2.838200 0.319530 -0.891034
C 1.848876 2.314392 0.171942
C 0.457149 0.230530 0.034426
C 4.143070 0.563479 -0.110596
C 3.191541 2.503710 0.925341
C 0.350060 -1.234337 0.145619
C -0.751499 0.997990 0.161825
C -2.004002 0.405156 0.343101
C -0.890276 -1.837502 0.325892
C -2.076987 -1.036637 0.423354
C 1.511816 -3.417219 0.370531
C -3.266211 2.545414 0.354124
C 2.954403 -3.906039 0.357230
C -4.727952 2.942028 0.504375
H 2.889908 0.870241 -1.851665
H 2.696815 -0.748318 -1.088399
H 1.038797 2.675415 0.824584
H 1.859430 2.906097 -0.764312
H 4.135390 -0.005781 0.842132
H 5.011416 0.259795 -0.715630
H 3.382084 3.577878 1.078569
H 3.137215 1.994265 1.911204
H -0.704927 2.079289 0.030303
H -0.979527 -2.920136 0.433112
H 1.025935 -3.601616 1.349343
H 0.913512 -3.887304 -0.434925
H -2.640275 2.947138 1.174205
H -2.851035 2.856420 -0.623895
H 2.973965 -4.993258 0.550537
H 3.430581 -3.727010 -0.621442
H 3.549673 -3.409386 1.141541
H -4.814780 4.042113 0.456414
H -5.341511 2.513805 -0.305193
H -5.133789 2.607443 1.473214


