%chk=000005075.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005075

0 1
 O    3.129700      -2.580800       1.525500    
 O    5.656300       2.789400     -0.3647000    
 O   -7.223600      0.7649000      0.7283000    
 N   -1.098400     -0.6929000      9.1700003E-02
 C   0.2875000     -0.8621000     -0.3572000    
 C    1.075500      -1.573900      0.7566000    
 C    2.554500      -1.855000      0.4357000    
 C   0.2997000      -1.630700      -1.677600    
 C    3.385000     -0.6111000      0.2213000    
 C   -1.870500      3.8300000E-02 -0.8985000    
 C   -3.299100      0.2323000     -0.4646000    
 C    4.086300     -0.4605000     -0.9633000    
 C    3.428500      0.3540000       1.214100    
 C   -3.644000       1.361200      0.2647000    
 C   -4.250100     -0.7211000     -0.8002000    
 C    4.853200      0.6878000      -1.161100    
 C    4.195300       1.502300       1.016400    
 C    4.907600       1.669300     -0.1713000    
 C   -4.967500       1.540600      0.6668000    
 C   -5.573600     -0.5416000     -0.3980000    
 C   -5.932400      0.5894000      0.3355000    
 H   0.7369000      0.1257000     -0.5193000    
 H   0.9959000      -1.005000       1.692800    
 H   0.5918000      -2.536400      0.9793000    
 H    2.634200      -2.519100     -0.4307000    
 H   -1.104500     -0.1829000      0.9753000    
 H  -8.2999997E-02  -1.038400      -2.514400    
 H  -0.2781000      -2.559600      -1.611100    
 H    1.315700      -1.901500      -1.977600    
 H   -1.919600     -0.4795000      -1.861800    
 H   -1.420000       1.019900      -1.098000    
 H    4.051600      -1.217200      -1.741700    
 H    2.890000      0.2364000       2.149400    
 H    2.622400      -3.403700       1.631100    
 H   -2.899900       2.107100      0.5294000    
 H   -3.981700      -1.607000      -1.368900    
 H    5.403500      0.8059000      -2.090800    
 H    4.236000       2.262100       1.792000    
 H   -5.234000       2.425700       1.238400    
 H   -6.320700      -1.286500     -0.6585000    
 H    6.079800       2.738300      -1.238800    
 H   -7.291500       1.598600       1.224700    


%chk=000005075-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005075

0 1
O 3.150333 -2.778537 1.460149
O 5.307030 3.077538 0.286225
O -7.068530 1.048465 1.061294
N -1.034129 -0.835854 -0.240411
C 0.351538 -1.144125 -0.691183
C 1.078873 -1.846323 0.481509
C 2.612425 -2.016233 0.308801
C 0.315879 -2.029500 -1.957835
C 3.360099 -0.692477 0.278777
C -1.819919 0.061504 -1.123329
C -3.192938 0.351369 -0.531484
C 3.811508 -0.137096 -0.940356
C 3.585675 0.029274 1.479813
C -3.710843 1.667440 -0.497535
C -3.994073 -0.703729 -0.017567
C 4.460535 1.117797 -0.974463
C 4.234948 1.277825 1.464721
C 4.667141 1.824595 0.233524
C -4.998162 1.933892 0.022923
C -5.276393 -0.455980 0.507610
C -5.779130 0.866516 0.524561
H 0.912285 -0.207040 -0.934939
H 0.916193 -1.269410 1.415141
H 0.611959 -2.843536 0.627176
H 2.816775 -2.575712 -0.628809
H -1.031027 -0.468493 0.722523
H -0.146390 -1.503145 -2.811696
H -0.271668 -2.943921 -1.758145
H 1.335042 -2.322118 -2.268880
H -1.938939 -0.444639 -2.101610
H -1.295658 1.027770 -1.331886
H 3.665329 -0.687691 -1.877866
H 3.275803 -0.415572 2.430705
H 2.605220 -3.598681 1.575627
H -3.105684 2.498502 -0.879745
H -3.589184 -1.721144 -0.027069
H 4.808034 1.533593 -1.929382
H 4.422683 1.837640 2.385775
H -5.382852 2.962220 0.042243
H -5.899479 -1.263073 0.904564
H 5.583923 3.368593 -0.617853
H -7.329527 2.002195 1.029282


