%chk=000002598.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002598

0 1
 O  -0.4880000       2.185700     -0.1671000    
 O    1.148100      -2.895000      8.3400004E-02
 O   -4.995000      0.8579000      0.7784000    
 N   -2.406500      0.2337000     -0.1916000    
 N    3.608200       1.481600      4.7699999E-02
 C   -1.087800     -0.1121000     -0.1174000    
 C    1.320900      0.6974000     -3.1900000E-02
 C    1.762700     -0.6189000      3.3700000E-02
 C  -0.1148000       1.019000     -0.1095000    
 C   -3.478600     -0.7266000     -0.1763000    
 C  -0.6415000      -1.373300     -5.3300001E-02
 C   0.7920000      -1.724600      2.6500000E-02
 C    3.128400     -0.8888000      0.1064000    
 C   -4.823600     -3.1800002E-02 -0.3169000    
 C    2.276300       1.706500     -2.2000000E-02
 C    3.999300      0.1893000      0.1099000    
 H   -2.627200       1.223900     -0.2257000    
 H   -3.459700      -1.282000      0.7692000    
 H   -3.369300      -1.439200      -1.002000    
 H   -1.317000      -2.223100     -5.5500001E-02
 H    3.516800      -1.899900      0.1590000    
 H   -5.644700     -0.7552000     -0.3151000    
 H   -4.875000      0.5526000      -1.240900    
 H    2.004200       2.756100     -7.0400000E-02
 H    5.072000      3.4899998E-02  0.1651000    
 H   -4.975100      0.3281000       1.593500    


%chk=000002598-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002598

0 1
O -0.611272 2.159111 0.118001
O 1.275881 -3.009760 -0.078389
O -5.007081 1.160621 0.406176
N -2.395568 0.157672 -0.029000
N 3.615898 1.548974 0.051752
C -1.078337 -0.200766 -0.011229
C 1.319603 0.695028 0.033717
C 1.790145 -0.647376 -0.016825
C -0.134389 0.982639 0.050128
C -3.514380 -0.782127 -0.039276
C -0.592028 -1.507947 -0.038101
C 0.826819 -1.810765 -0.047348
C 3.183476 -0.867552 -0.032319
C -4.808995 -0.040779 -0.418823
C 2.267906 1.751648 0.066629
C 4.049726 0.248716 0.002744
H -2.609965 1.159798 0.077101
H -3.621561 -1.269990 0.955174
H -3.325938 -1.587175 -0.777596
H -1.265690 -2.370213 -0.051705
H 3.561661 -1.892960 -0.069347
H -5.671411 -0.733855 -0.354660
H -4.738744 0.347429 -1.447823
H 1.923873 2.790190 0.105361
H 5.137044 0.115793 -0.007368
H -5.251574 0.899846 1.330225


