%chk=000022714.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022714

0 1
 O    1.467900      -1.317900      0.2567000    
 O   -1.802900     -0.7773000     -0.5953000    
 O   7.2300002E-02  -3.714300      0.4973000    
 O   -3.164700      6.4300001E-02   1.051700    
 N   -3.040800       1.049100      -1.045200    
 C  -0.3664000      -2.708400     -0.4189000    
 C   0.8565000      -1.924500     -0.8770000    
 C   -1.372900      -1.808000      0.2881000    
 C    2.143400     -0.1467000      3.9000001E-02
 C    2.231000      0.8151000       1.040600    
 C    2.741200      6.6900000E-02  -1.199400    
 C    2.923400       2.002200      0.8015000    
 C    1.593800      0.5974000       2.373200    
 C    3.433600       1.254000      -1.438200    
 C    3.524700       2.221600     -0.4380000    
 C   -2.714700      0.1111000     -8.8500001E-02
 C   -3.978000       2.126500     -0.8254000    
 C   -4.547400       2.088900      0.5778000    
 H  -0.8295000      -3.200200      -1.280800    
 H    1.581600      -2.612900      -1.327200    
 H   0.5379000      -1.188400      -1.625700    
 H  -0.9428000      -1.370900       1.197600    
 H   -2.236700      -2.410000      0.5974000    
 H    2.723900     -0.6709000      -1.995700    
 H    3.003200       2.766600       1.570000    
 H   0.5109000      -3.267900       1.241900    
 H    1.934800     -0.3464000       2.811700    
 H   0.5040000      0.5726000       2.271000    
 H    1.844700       1.394400       3.081300    
 H    3.908400       1.422300      -2.400500    
 H    4.065100       3.145200     -0.6237000    
 H   -4.772300       2.031100      -1.572000    
 H   -3.448800       3.067000      -1.007100    
 H   -2.596800      0.9790000      -1.955600    
 H   -5.139700       1.189100      0.7735000    
 H   -3.787900       2.247200       1.350200    
 H   -5.248400       2.926700      0.6838000    


%chk=000022714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022714

0 1
O 1.411577 -0.774447 0.353387
O -2.208462 -0.524973 -0.219332
O 0.137698 -3.166417 0.923445
O -3.402230 0.500537 1.540865
N -3.779789 1.042217 -0.720410
C -0.478898 -2.198393 0.008125
C 0.598306 -1.381253 -0.716994
C -1.473148 -1.325712 0.791696
C 2.512875 0.028308 -0.011293
C 3.239970 0.588057 1.079397
C 2.884774 0.276155 -1.352872
C 4.354338 1.401276 0.773457
C 2.815027 0.309928 2.506935
C 4.005817 1.094673 -1.623634
C 4.744451 1.659240 -0.563144
C -3.170443 0.367916 0.312416
C -4.864491 2.010369 -0.494014
C -6.240629 1.488728 -0.958678
H -1.029937 -2.801156 -0.734342
H 1.231884 -2.047688 -1.334047
H 0.137371 -0.596292 -1.346233
H -0.956660 -0.650132 1.496287
H -2.179351 -1.962656 1.350466
H 2.318210 -0.155162 -2.183192
H 4.924292 1.840878 1.600733
H 0.850280 -2.682171 1.419255
H 2.877094 -0.769497 2.742636
H 1.764969 0.610120 2.678298
H 3.454852 0.854460 3.221679
H 4.294650 1.285960 -2.663010
H 5.612659 2.293877 -0.769251
H -4.619229 2.957078 -1.013237
H -4.879813 2.216952 0.589397
H -3.499957 0.801770 -1.672006
H -6.243528 1.262337 -2.041214
H -6.512674 0.569395 -0.411709
H -7.020252 2.249315 -0.769761


