%chk=000130928.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130928

0 1
 O    4.586600      -1.543900     -0.2817000    
 O   -4.670000      -2.953100      0.5932000    
 N    2.000100     -0.5115000      9.6199997E-02
 N   0.5727000       1.346400      0.3750000    
 N  -0.3333000     -0.8373000     -3.4800000E-02
 N   -1.803500       1.038000      0.2475000    
 N   -2.659700      -1.108200     -0.1524000    
 C    3.086100      0.3595000     -0.3738000    
 C    2.197300      -1.944100     -0.1504000    
 C    4.426300     -0.1811000      0.1114000    
 C    3.585300      -2.361900      0.3225000    
 C   0.7056000      1.5900001E-02  0.1464000    
 C  -0.6973000       1.781100      0.4116000    
 C  -0.8998000       3.236900      0.6617000    
 C  -0.9349000       4.051500     -0.6392000    
 C   -1.544600     -0.2613000      2.8400000E-02
 C   -2.536300      -2.511700     -0.3937000    
 C   -1.176000       5.529900     -0.3784000    
 C   -3.904500      -3.145100     -0.5893000    
 H    3.066700      0.3835000      -1.470300    
 H    2.983600       1.387300     -8.6000003E-03
 H    1.457400      -2.551700      0.3831000    
 H    2.093200      -2.136500      -1.225200    
 H    5.244300      0.3953000     -0.3323000    
 H    4.518000     -0.1030000       1.201600    
 H    3.671900      -2.297200       1.413900    
 H    3.780400      -3.400000      3.5599999E-02
 H   -1.836600       3.381600       1.213900    
 H  -9.6699998E-02   3.609700       1.309500    
 H   1.1400000E-02   3.929800      -1.180100    
 H   -1.725700       3.669900      -1.296800    
 H   -3.573200     -0.6727000     -9.7499996E-02
 H   -2.041800      -2.986200      0.4624000    
 H   -1.929200      -2.696500      -1.287300    
 H   -2.134000       5.687200      0.1273000    
 H  -0.3832000       5.951100      0.2478000    
 H   -1.194600       6.083600      -1.322300    
 H   -3.806800      -4.219300     -0.7737000    
 H   -4.437400      -2.684300      -1.427400    
 H   -5.535700      -3.369500      0.4427000    


%chk=000130928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130928

0 1
O 4.644197 -1.565682 0.027805
O -4.941944 -2.617128 0.036282
N 2.021564 -0.498092 -0.424929
N 0.657011 1.339770 0.146295
N -0.259091 -0.919798 -0.001132
N -1.701392 0.968989 0.584603
N -2.560815 -1.195079 0.438251
C 3.201427 0.380189 -0.548427
C 2.282620 -1.927973 -0.674018
C 4.337189 -0.156904 0.343782
C 3.444958 -2.400922 0.222201
C 0.774590 -0.017525 -0.086796
C -0.600678 1.767763 0.474830
C -0.792361 3.249235 0.694800
C -1.127604 3.985491 -0.633666
C -1.469630 -0.374746 0.333415
C -2.552648 -2.639880 0.212692
C -1.325704 5.500966 -0.422363
C -3.726012 -3.050034 -0.680506
H 3.538167 0.389759 -1.605264
H 2.901692 1.399092 -0.255994
H 1.358647 -2.489883 -0.465241
H 2.559740 -2.068803 -1.738872
H 5.275458 0.393461 0.165240
H 4.050143 -0.067647 1.413839
H 3.133817 -2.368422 1.289015
H 3.756409 -3.425340 -0.040886
H -1.618603 3.397929 1.412437
H 0.135983 3.671081 1.120206
H -0.308742 3.807173 -1.357261
H -2.044816 3.540604 -1.065635
H -3.447134 -0.754399 0.694020
H -2.631968 -3.184593 1.175236
H -1.591381 -2.907165 -0.255979
H -2.152003 5.698190 0.286299
H -0.410964 5.968583 -0.011835
H -1.567535 6.008822 -1.374171
H -3.720295 -4.150705 -0.823425
H -3.647902 -2.547234 -1.666390
H -5.742290 -2.777046 -0.521956


