%chk=000005754.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005754

0 1
 O    3.114400     -0.2859000      -1.941600    
 O  -0.2290000       2.144300       1.239900    
 O    4.326700       1.672900      6.0300000E-02
 O    6.798700      0.5839000     -0.4649000    
 O   -6.422700     -3.4400001E-02  -1.344400    
 C    1.891700      0.1629000      0.1439000    
 C   0.9976000      -1.077000     -7.3799998E-02
 C  -0.4048000     -0.9389000      0.5376000    
 C   -1.120300      0.2887000     -0.1144000    
 C    3.200700     -0.3456000     -0.5210000    
 C    1.202300       1.357200     -0.5469000    
 C   -2.618800      0.4571000      0.3689000    
 C  -0.2481000       1.581900     -6.4499997E-02
 C    1.885200      -2.236300      0.3713000    
 C    3.302500      -1.823200     -7.7799998E-02
 C   -1.219600      -2.220100      0.2998000    
 C    2.156600      0.4723000       1.643400    
 C   -3.345900     -0.8879000      0.2342000    
 C   -2.643800      -2.089400      0.8180000    
 C   -3.300500       1.523300     -0.5375000    
 C   -2.746900      0.8977000       1.844700    
 C    4.411900      0.4683000     -0.1739000    
 C   -4.818700       1.507600     -0.4589000    
 C   -4.556900      -1.037000     -0.3282000    
 C   -5.341700      0.1333000     -0.7839000    
 C    5.729700     -0.2757000     -0.1305000    
 H   0.8473000      -1.211600      -1.158100    
 H  -0.3282000     -0.7923000       1.619400    
 H   -1.182600      4.1299999E-02  -1.187800    
 H    1.165100       1.193200      -1.631000    
 H    1.789300       2.269300     -0.3873000    
 H  -0.6965000       2.336400     -0.7206000    
 H    1.586600      -3.183500     -8.9299999E-02
 H    1.851300      -2.370700       1.458500    
 H    3.979900      -1.980100      0.7680000    
 H    3.632700      -2.472600     -0.8968000    
 H  -0.7411000      -3.068500      0.8028000    
 H   -1.241400      -2.458800     -0.7717000    
 H    2.593200       1.467400       1.777800    
 H    1.247200      0.4542000       2.247800    
 H    2.841700     -0.2458000       2.106600    
 H   -2.630600      -2.000200       1.911200    
 H   -3.186100      -3.016100      0.5933000    
 H   -3.015200       1.350200      -1.584800    
 H   -2.947000       2.529800     -0.2833000    
 H   -2.084900      0.3299000       2.505800    
 H   -2.519700       1.960100       1.975800    
 H   -3.768100      0.7560000       2.219700    
 H    3.872500     -0.7647000      -2.317500    
 H   -5.224000       2.216200      -1.189600    
 H   -5.178800       1.797000      0.5334000    
 H   0.2825000       2.970100       1.199900    
 H   -5.034100      -2.007300     -0.4142000    
 H    5.735800      -1.083800     -0.8657000    
 H    5.894200     -0.6856000      0.8696000    
 H    6.861500       1.257800      0.2335000    


%chk=000005754-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005754

0 1
O 3.039710 -0.442063 -1.860262
O -0.311603 2.187704 1.261218
O 4.416092 1.720745 0.070310
O 6.894791 0.880218 -0.452393
O -6.441956 0.154676 -1.563219
C 1.894191 0.128053 0.250415
C 1.003683 -1.139644 0.060950
C -0.420165 -0.987067 0.631222
C -1.106265 0.235253 -0.059697
C 3.227876 -0.399770 -0.374222
C 1.226240 1.297420 -0.505261
C -2.615952 0.451275 0.379033
C -0.245077 1.532128 -0.071839
C 1.899603 -2.306101 0.553588
C 3.358767 -1.845796 0.207214
C -1.241276 -2.269318 0.347025
C 2.138667 0.467519 1.748913
C -3.367115 -0.870836 0.136240
C -2.736489 -2.123246 0.715553
C -3.225640 1.586885 -0.499467
C -2.784443 0.802669 1.893826
C 4.471440 0.492743 -0.216960
C -4.767976 1.607174 -0.512433
C -4.578118 -0.931690 -0.506117
C -5.342866 0.256481 -0.935123
C 5.850480 -0.115412 -0.515782
H 0.889023 -1.259746 -1.038701
H -0.372731 -0.821084 1.725961
H -1.165570 -0.041446 -1.139444
H 1.242169 1.069919 -1.587585
H 1.802162 2.234784 -0.370511
H -0.693595 2.231556 -0.809210
H 1.644280 -3.263509 0.067793
H 1.789751 -2.452020 1.644280
H 3.992347 -1.847496 1.112028
H 3.851812 -2.522283 -0.518831
H -0.810444 -3.125959 0.900444
H -1.157106 -2.508151 -0.733953
H 2.743002 1.386335 1.835600
H 1.182765 0.643410 2.265090
H 2.677163 -0.338993 2.279594
H -2.822016 -2.078173 1.821942
H -3.302429 -3.016614 0.393383
H -2.874216 1.455878 -1.544007
H -2.844656 2.562047 -0.145030
H -2.319700 0.044740 2.548225
H -2.303845 1.767204 2.111811
H -3.857335 0.853130 2.156056
H 3.533822 -1.218394 -2.228535
H -5.158127 2.387238 -1.189806
H -5.161449 1.837820 0.498720
H 0.386335 2.890608 1.286768
H -5.067648 -1.899316 -0.680081
H 5.836442 -0.579161 -1.524093
H 6.053676 -0.921049 0.221184
H 6.452320 1.746026 -0.216625


