%chk=000086198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086198

0 1
 O  -0.8256000     -0.3829000      -1.451900    
 O  -0.6760000       1.088600      0.3822000    
 N   -2.579700      -1.148100      0.6531000    
 C  -0.3860000     -0.2334000     -9.1799997E-02
 C   -1.119300      -1.255700      0.8068000    
 C   -2.948500      -1.326300     -0.7549000    
 C   -2.240000     -0.2756000      -1.597600    
 C    1.121000     -0.4899000     -1.4200000E-02
 C   -3.263400      -2.127700       1.495700    
 C    1.776800     -0.4036000       1.211600    
 C    1.830600     -0.8091000      -1.169500    
 C  -1.3000000E-02   2.073400     -0.3957000    
 C    3.150100     -0.6375000       1.282500    
 C    3.203900      -1.043200      -1.098500    
 C    3.863500     -0.9574000      0.1276000    
 C  -0.3214000       3.413900      0.1033000    
 C  -0.5731000       4.514500      0.5113000    
 H  -0.7963000      -2.275400      0.5535000    
 H  -0.8743000      -1.075000       1.860500    
 H   -4.031100      -1.213700     -0.8834000    
 H   -2.667000      -2.329200      -1.101500    
 H   -2.473500     -0.4321000      -2.655700    
 H   -2.569300      0.7380000      -1.340400    
 H   -3.015700      -1.966700       2.550800    
 H   -2.999400      -3.158400       1.232900    
 H   -4.350000      -2.017300       1.408000    
 H    1.241800     -0.1438000       2.120500    
 H    1.355300     -0.8853000      -2.142500    
 H    1.074700       1.959100     -0.3550000    
 H  -0.3253000       2.011800      -1.444200    
 H    3.664500     -0.5677000       2.236600    
 H    3.760200      -1.291900      -1.997600    
 H    4.932900      -1.138700      0.1826000    
 H  -0.7965000       5.490800      0.8733000    


%chk=000086198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086198

0 1
O -0.757484 -0.252221 -1.462267
O -0.600304 1.088101 0.544264
N -2.558333 -1.165010 0.607270
C -0.315346 -0.225359 -0.065529
C -1.096066 -1.257628 0.788960
C -2.928237 -1.259511 -0.819451
C -2.231143 -0.131755 -1.586557
C 1.183558 -0.534977 -0.059729
C -3.284742 -2.112784 1.467836
C 1.931000 -0.259370 1.113410
C 1.827634 -1.124004 -1.173292
C 0.059881 2.212889 -0.172553
C 3.306820 -0.570298 1.171971
C 3.206393 -1.431095 -1.114712
C 3.949198 -1.158751 0.057046
C -0.598004 3.468890 0.200072
C -1.116343 4.549000 0.489202
H -0.702073 -2.268772 0.507764
H -0.850630 -1.081252 1.850832
H -4.024542 -1.144687 -0.915844
H -2.644041 -2.247839 -1.268415
H -2.425157 -0.187920 -2.669832
H -2.552406 0.846650 -1.183240
H -3.030373 -1.922253 2.525885
H -3.054298 -3.186677 1.244948
H -4.372832 -1.964062 1.347407
H 1.431856 0.212725 1.967995
H 1.244340 -1.326331 -2.075666
H 1.134997 2.246752 0.095768
H -0.018779 2.042451 -1.264504
H 3.876924 -0.351273 2.081832
H 3.699560 -1.883595 -1.982584
H 5.017403 -1.399721 0.100958
H -1.577533 5.484185 0.749155


