%chk=000003809.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003809

0 1
 O  -0.2968000       2.315700       1.275700    
 O   -5.821200     -0.8441000     -0.5914000    
 O   -5.067300      -2.535300       1.379900    
 N  -0.9693000       1.465300     -0.7751000    
 N    4.834100      -1.136000     -0.1472000    
 N   -4.137200      -1.714100      0.7292000    
 C   -3.353100       1.281000     -0.1898000    
 C   -2.247600       2.119700     -0.8216000    
 C   -3.552200     -5.9000000E-02 -0.8985000    
 C    1.207900      0.8962000      0.1715000    
 C    3.607500     -0.4478000     -4.0100001E-02
 C  -8.4799998E-02   1.619300      0.2865000    
 C    2.312300       1.397200      0.8292000    
 C    1.262600     -0.2540000     -0.5883000    
 C    3.525600      0.7176000      0.7221000    
 C    2.476100     -0.9335000     -0.6952000    
 C   -4.641200     -0.8981000     -0.2551000    
 C    4.855500      -2.574800     -0.3208000    
 C    6.089100     -0.4152000     -7.1000002E-02
 H   -4.292500       1.846600     -0.2121000    
 H   -3.123400       1.102200      0.8681000    
 H   -2.177400       3.084000     -0.3064000    
 H   -2.475100       2.319300      -1.874200    
 H   -2.620600     -0.6374000     -0.9111000    
 H   -3.834000      0.1050000      -1.945500    
 H  -0.7064000      0.9290000      -1.594600    
 H    2.265500       2.304200       1.424400    
 H   0.3990000     -0.6828000      -1.085800    
 H    4.385000       1.116300       1.253700    
 H    2.507300      -1.835800      -1.299400    
 H    4.657100      -2.842700      -1.363900    
 H    5.833700      -2.990700     -5.4600000E-02
 H    4.118100      -3.067600      0.3230000    
 H    6.908900      -1.003500     -0.4985000    
 H    6.048100      0.5233000     -0.6356000    
 H    6.348700     -0.1968000      0.9701000    
 H   -3.199400      -1.686300       1.112700    
 H   -4.959700      -3.355500      0.8689000    


%chk=000003809-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003809

0 1
O -0.461227 2.228928 0.818494
O -5.951364 -0.404311 0.257388
O -5.462647 -2.269531 2.070544
N -1.017697 1.240913 -1.200305
N 5.059360 -1.065066 -0.119456
N -4.410780 -1.776353 1.220588
C -3.371736 1.264277 -0.271346
C -2.339543 1.893326 -1.236225
C -3.598204 -0.245814 -0.532340
C 1.190911 0.763811 -0.198243
C 3.797166 -0.471186 -0.143358
C -0.135807 1.458722 -0.146733
C 2.138996 1.085240 0.809315
C 1.570715 -0.197439 -1.173812
C 3.408046 0.492320 0.845138
C 2.837926 -0.803965 -1.155369
C -4.729482 -0.792399 0.318662
C 5.430692 -2.050280 -1.143714
C 6.023467 -0.703933 0.929451
H -4.334788 1.796496 -0.384160
H -3.024400 1.421799 0.765091
H -2.211156 2.955988 -0.960037
H -2.710566 1.846201 -2.277489
H -2.660147 -0.803774 -0.348550
H -3.878052 -0.403268 -1.592670
H -0.724483 0.682545 -2.000352
H 1.842290 1.819717 1.565698
H 0.877852 -0.507660 -1.967125
H 4.101641 0.775261 1.641318
H 3.082710 -1.540015 -1.925719
H 5.404589 -1.614176 -2.163086
H 6.455276 -2.406758 -0.955077
H 4.757190 -2.931324 -1.131486
H 6.959402 -1.262981 0.774496
H 6.265780 0.377672 0.909059
H 5.642735 -0.949889 1.941346
H -3.499407 -2.153674 1.472746
H -6.242357 -1.718520 1.726515


