%chk=000007331.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007331

0 1
 O    4.337000       1.391300      0.3234000    
 O   -1.158900      -1.699200      0.5472000    
 O    3.588500      -2.534600     -0.4928000    
 O    5.041100     -0.9090000     -0.2347000    
 N   -1.921300      0.4409000     -3.9600000E-02
 N    3.862200      -1.336000     -0.2468000    
 C   0.4326000     -2.3499999E-02  0.2819000    
 C    2.800400     -0.4307000      2.7200000E-02
 C    1.486100     -0.8980000      1.5300000E-02
 C    3.061100      0.9109000      0.3057000    
 C   0.6933000       1.318100      0.5604000    
 C  -0.9382000     -0.5093000      0.2696000    
 C    2.007600       1.785300      0.5722000    
 C   -3.325900      0.2679000     -0.1031000    
 C   -3.866500     -0.9782000      0.1641000    
 C   -4.125900       1.349200     -0.4299000    
 C   -5.249800      -1.148100      0.1024000    
 C   -5.509100       1.179400     -0.4914000    
 C   -6.071000     -6.9300003E-02 -0.2252000    
 C    4.856600       1.892800     -0.9059000    
 H    1.263800      -1.939500     -0.2061000    
 H  -8.8900000E-02   2.028000      0.8124000    
 H    2.204200       2.829900      0.7989000    
 H   -1.620000       1.378000     -0.2923000    
 H   -3.300300      -1.859800      0.4241000    
 H   -3.698900       2.326100     -0.6386000    
 H   -5.688700      -2.119900      0.3095000    
 H   -6.148700       2.019400     -0.7465000    
 H   -7.147800     -0.2015000     -0.2731000    
 H    4.482400       2.907600      -1.073100    
 H    4.585000       1.259600      -1.757200    
 H    5.946700       1.932100     -0.8289000    


%chk=000007331-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007331

0 1
O 4.255760 1.930781 0.050603
O -1.129709 -1.695838 0.100617
O 3.647678 -2.153921 -1.108824
O 4.933511 -1.010273 0.391891
N -2.054152 0.459838 -0.039730
N 3.863751 -1.150188 -0.327315
C 0.379989 0.197708 0.088099
C 2.798623 -0.139116 -0.176320
C 1.475206 -0.632553 -0.212799
C 3.059227 1.240181 0.101604
C 0.640797 1.549420 0.458214
C -0.989133 -0.434902 0.057026
C 1.946730 2.054432 0.453799
C -3.452440 0.181824 -0.039474
C -3.986707 -1.128802 0.087251
C -4.331122 1.292306 -0.168952
C -5.387542 -1.303556 0.087174
C -5.726521 1.099212 -0.169255
C -6.265032 -0.202587 -0.039679
C 5.395796 1.489906 -0.779639
H 1.296977 -1.688034 -0.440047
H -0.168208 2.218753 0.773812
H 2.154570 3.099094 0.702107
H -1.814526 1.445064 -0.168180
H -3.307551 -1.977876 0.177089
H -3.921510 2.306574 -0.268304
H -5.793984 -2.316293 0.185658
H -6.391788 1.963741 -0.269552
H -7.349492 -0.354318 -0.039345
H 5.041765 1.026352 -1.719063
H 6.021226 0.776028 -0.222344
H 5.946510 2.416942 -0.997023


