%chk=000004549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004549

0 1
 O    2.953300       3.167200      0.5629000    
 O    1.022700       2.756200     -0.5642000    
 O    6.069300      -2.132800      1.8900000E-02
 O    6.508300      2.2200000E-02 -1.5799999E-02
 N   0.1841000      0.1639000     -1.9200001E-02
 N    5.698000     -0.9350000     -1.9999999E-04
 C   -2.223000     -0.2570000     -6.8000001E-03
 C  -0.8243000     -0.8682000     -3.0000000E-03
 C   -3.328700      -1.318100      4.9000001E-03
 C   -4.700000     -0.6911000      1.4300000E-02
 C    1.546600     -9.0999998E-02 -1.5000000E-02
 C    2.497000      0.9489000     -3.1099999E-02
 C    2.015500      -1.418400      5.9000002E-03
 C   -5.309900     -0.4050000       1.226500    
 C   -5.329200     -0.4110000      -1.189400    
 C    3.863900      0.6709000     -2.6400000E-02
 C    4.306700     -0.6516000     -5.2999998E-03
 C    3.382500      -1.696200      1.0800000E-02
 C   -6.578800      0.1746000       1.235200    
 C   -6.597800      0.1687000      -1.180800    
 C   -7.222600      0.4615000      3.1599998E-02
 C    2.066200       2.341200     -5.3900000E-02
 H   -2.336300      0.3862000     -0.8897000    
 H   -2.332700      0.4027000      0.8644000    
 H  -0.7186000      -1.512400     -0.8842000    
 H  -0.7144000      -1.489400      0.8941000    
 H   -3.229100      -1.974400     -0.8691000    
 H   -3.215700      -1.969100      0.8814000    
 H  -0.1222000       1.129700     -2.3900000E-02
 H    1.334700      -2.265300      1.8800000E-02
 H   -4.815800     -0.6229000       2.169000    
 H   -4.850200     -0.6337000      -2.138600    
 H    4.581000       1.488000     -5.5199999E-02
 H    3.690900      -2.738500      2.7300000E-02
 H   -7.065000      0.4031000       2.179100    
 H   -7.099100      0.3926000      -2.117800    
 H   -8.210300      0.9131000      3.8300000E-02
 H    2.656300       4.102000      0.5436000    


%chk=000004549-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004549

0 1
O 3.070882 3.300584 0.032505
O 0.830767 2.722982 0.048951
O 6.182765 -2.155899 -0.017222
O 6.617970 0.088050 -0.008955
N 0.214041 0.112723 0.040855
N 5.800137 -0.916477 -0.007625
C -2.226573 -0.283685 0.041726
C -0.826433 -0.926390 0.034008
C -3.352919 -1.351158 0.002968
C -4.739589 -0.722161 0.004427
C 1.560246 -0.131728 0.029710
C 2.520694 0.961778 0.028032
C 2.072225 -1.476111 0.018445
C -5.422918 -0.470812 1.221926
C -5.360272 -0.336764 -1.211803
C 3.906033 0.685746 0.015778
C 4.359557 -0.642942 0.005271
C 3.442459 -1.729266 0.006665
C -6.691831 0.151658 1.226056
C -6.628850 0.285676 -1.213357
C -7.299003 0.533052 0.007244
C 2.047324 2.353941 0.037553
H -2.331289 0.390307 -0.830902
H -2.345524 0.342616 0.947135
H -0.716732 -1.568809 -0.865347
H -0.713529 -1.585598 0.920583
H -3.221439 -1.975150 -0.903163
H -3.240894 -2.023475 0.876401
H -0.060180 1.110388 0.048551
H 1.373535 -2.315932 0.019731
H -4.961138 -0.770138 2.171515
H -4.849421 -0.531871 -2.163474
H 4.626946 1.506524 0.014082
H 3.833992 -2.750201 -0.001496
H -7.207435 0.334528 2.175658
H -7.095532 0.572673 -2.162478
H -8.284130 1.012666 0.008257
H 2.669358 4.210277 0.039187


