%chk=000012106.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012106

0 1
 P  -0.7214000      0.8186000      0.2956000    
 O   -2.080200       1.236700     -0.4869000    
 O   0.3163000       1.740800     -0.5386000    
 O  -0.4429000     -0.5867000     -0.4569000    
 C   -5.921700     -0.1464000      0.2607000    
 C    4.407400       1.946300      0.1326000    
 C    2.743400      -3.140100      0.2889000    
 C   -3.340100      0.7835000     -0.2426000    
 C    1.669100       1.808000     -0.3171000    
 C   0.6105000      -1.431900     -0.2107000    
 C   -5.214200      0.5220000       1.259800    
 C    3.515600       2.293400       1.147400    
 C    2.233200      -2.343500       1.313800    
 C   -5.338500     -0.3499000     -0.9901000    
 C    3.924400       1.529800      -1.108100    
 C    2.182800      -3.079000     -0.9870000    
 C   -3.923300      0.9870000       1.008000    
 C    2.140800       2.223800      0.9216000    
 C    1.162100      -1.485800       1.063000    
 C   -4.047700      0.1151000      -1.241600    
 C    2.549700       1.460400      -1.333800    
 C    1.111800      -2.221200      -1.237700    
 C   -7.302000     -0.6429000      0.5291000    
 C    5.877100       2.019600      0.3738000    
 C    3.887800      -4.057800      0.5569000    
 H   -5.659300      0.6903000       2.236700    
 H    3.879500       2.623200       2.116900    
 H    2.659800      -2.384700       2.312500    
 H   -5.880300     -0.8676000      -1.777200    
 H    4.609100       1.257700      -1.907000    
 H    2.572900      -3.693000      -1.794400    
 H   -3.390700       1.515200       1.794400    
 H    1.460200       2.509100       1.718700    
 H   0.7817000     -0.9019000       1.895300    
 H   -3.598500     -4.6399999E-02  -2.217800    
 H    2.177600       1.135500      -2.301200    
 H   0.6786000      -2.174800      -2.232700    
 H   -8.035400      0.1261000      0.2669000    
 H   -7.429900     -0.9041000       1.585100    
 H   -7.517000      -1.546000     -5.2200001E-02
 H    6.411300       1.262900     -0.2108000    
 H    6.114600       1.836500       1.427300    
 H    6.254500       3.008700      9.6199997E-02
 H    3.843400      -4.943600     -8.6000003E-02
 H    3.874900      -4.413300       1.592900    
 H    4.834800      -3.539900      0.3755000    


%chk=000012106-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000012106

0 1
P 0.228632 -0.220439 0.474958
O -1.015276 0.842441 -0.223068
O 1.545940 0.311528 -0.594583
O -0.207542 -1.661310 -0.473229
C -5.110374 0.815601 0.962512
C 3.787255 3.890083 -0.006798
C 1.929198 -5.347459 -0.316796
C -2.370975 0.791729 0.211505
C 2.262540 1.518284 -0.351218
C 0.541497 -2.869718 -0.381683
C -4.294307 1.963489 1.141009
C 2.390517 3.947408 -0.245122
C 0.582378 -5.254125 0.118002
C -4.516719 -0.343746 0.399312
C 4.402392 2.610907 0.053223
C 2.561159 -4.166652 -0.790152
C -2.931384 1.959499 0.773534
C 1.621961 2.774995 -0.424786
C -0.114310 -4.024999 0.093364
C -3.158080 -0.365685 0.014853
C 3.652174 1.428013 -0.113153
C 1.880731 -2.931572 -0.832695
C -6.583316 0.839206 1.334537
C 4.610658 5.156136 0.159821
C 2.677073 -6.669809 -0.285708
H -4.728972 2.871259 1.576971
H 1.894389 4.923741 -0.302467
H 0.070389 -6.152136 0.483890
H -5.127988 -1.242056 0.249069
H 5.481687 2.539720 0.236245
H 3.599497 -4.215941 -1.140983
H -2.301294 2.843378 0.914983
H 0.548439 2.819272 -0.632605
H -1.153042 -3.953773 0.431273
H -2.705123 -1.251531 -0.440837
H 4.125264 0.442063 -0.063511
H 2.358492 -2.025617 -1.218237
H -7.203546 1.186496 0.485149
H -6.776895 1.521334 2.181255
H -6.946560 -0.164868 1.616026
H 5.262759 5.101033 1.050939
H 3.966803 6.046087 0.266648
H 5.268575 5.324471 -0.714454
H 3.009194 -6.968590 -1.297878
H 2.045468 -7.482034 0.113136
H 3.582442 -6.606412 0.346948


