%chk=000009687.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009687

0 1
 P    5.078100       2.474500     -0.8837000    
 O    1.901800       1.230500       1.772800    
 O    4.153900       1.139800     -0.9994000    
 O    3.009600      -1.201800     -2.4999999E-03
 O    4.971100       2.952900      0.6659000    
 O    4.255100       3.605400      -1.699300    
 O    6.486800       2.290900      -1.371800    
 O    1.489300      -2.626500     -0.9935000    
 O   -6.321900      -1.155800     -0.1261000    
 N  -0.1098000      0.4820000      0.7399000    
 N   -1.895100       1.727000      0.2579000    
 N   -1.149700      -1.710300      0.8565000    
 N   -3.546800      -1.578600      0.4181000    
 N   -4.642400      0.4897000     -5.4299999E-02
 C    2.924900       1.184500     -0.3104000    
 C    2.134200     -0.1011000     -0.2292000    
 C    3.165500       1.470800       1.157000    
 C    1.283500      0.1435000       1.031800    
 C    3.713400       2.871800       1.338500    
 C   -1.166000     -0.3815000      0.6724000    
 C  -0.5981000       1.736000      0.4844000    
 C   -2.263100      0.4099000      0.3721000    
 C    2.559500      -2.419200     -0.4383000    
 C    3.597000      -3.472600     -0.1233000    
 C   -3.488700     -0.2360000      0.2451000    
 C    3.148800      -4.865000     -0.5603000    
 C   -2.390800      -2.222700      0.7089000    
 C    4.212900      -5.910300     -0.2682000    
 C   -5.952000      9.8999999E-03 -0.2185000    
 C   -6.912800       1.139500     -0.5694000    
 C   -8.357900      0.6855000     -0.7623000    
 C   -9.290300       1.837300      -1.110700    
 H    2.290400       1.960500     -0.7588000    
 H    1.550400     -0.2511000      -1.144800    
 H    3.897100      0.7621000       1.570500    
 H    1.268000     -0.7285000       1.696000    
 H    3.867000       3.093100       2.399300    
 H    3.034300       3.634400      0.9425000    
 H   2.9600000E-02   2.616700      0.4716000    
 H    4.703500       4.448600      -1.922800    
 H    3.776000      -3.464600      0.9577000    
 H    4.524000      -3.201600     -0.6411000    
 H    2.926500      -4.867200      -1.634200    
 H    2.220100      -5.137400     -4.4700000E-02
 H   -2.474400      -3.296300      0.8402000    
 H   -4.503300       1.491700     -0.1676000    
 H    3.870600      -6.899500     -0.5880000    
 H    4.433100      -5.956900      0.8031000    
 H    5.142000      -5.683900     -0.8008000    
 H   -6.865200       1.884600      0.2341000    
 H   -6.551000       1.617000      -1.488200    
 H   -8.716300      0.1974000      0.1520000    
 H   -8.405000     -6.7299999E-02  -1.558300    
 H   -9.295400       2.589800     -0.3158000    
 H   -10.31350       1.471300      -1.240500    
 H   -8.980900       2.322300      -2.041900    


%chk=000009687-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009687

0 1
P 5.288245 1.962415 -0.646368
O 1.564077 1.231161 1.716185
O 4.204858 0.582830 -0.769106
O 2.675943 -1.519791 0.266290
O 4.998512 2.580933 0.945003
O 4.470843 3.148696 -1.607501
O 6.788276 1.645983 -0.997401
O 2.776708 -2.203121 -1.968376
O -6.902531 -0.699230 0.725939
N -0.386507 0.395110 0.626834
N -2.160715 1.523541 -0.295265
N -1.633783 -1.441014 1.754438
N -4.066236 -1.253389 1.398075
N -5.005660 0.554584 0.077536
C 2.883750 0.887862 -0.197099
C 1.932663 -0.321310 -0.155277
C 2.974581 1.279319 1.293963
C 0.966882 0.045494 1.021406
C 3.596215 2.665080 1.473073
C -1.540246 -0.313539 1.002912
C -0.826405 1.487561 -0.144676
C -2.619432 0.397317 0.417146
C 3.117104 -2.378353 -0.783990
C 4.007753 -3.462096 -0.218924
C -3.926244 -0.124405 0.643964
C 4.214193 -4.645725 -1.187510
C -2.935382 -1.839692 1.904965
C 5.194097 -5.688928 -0.612703
C -6.400754 0.277282 0.124853
C -7.217502 1.323438 -0.651951
C -8.730700 1.033810 -0.629459
C -9.535720 2.093904 -1.409075
H 2.410905 1.713763 -0.767782
H 1.417098 -0.517963 -1.108968
H 3.578441 0.521847 1.832976
H 0.892823 -0.809080 1.718171
H 3.726360 2.952552 2.526406
H 3.035009 3.444920 0.926743
H -0.139051 2.229809 -0.542522
H 4.914262 3.367237 -2.466089
H 3.590038 -3.796514 0.749025
H 4.982797 -2.989436 0.019460
H 4.587593 -4.260885 -2.154094
H 3.237463 -5.120448 -1.399842
H -3.099111 -2.739939 2.503624
H -4.724565 1.386946 -0.454050
H 5.330970 -6.530101 -1.315460
H 4.824805 -6.105998 0.343148
H 6.188803 -5.242827 -0.424279
H -7.017104 2.327082 -0.221158
H -6.853630 1.359147 -1.700401
H -9.073085 0.986913 0.420563
H -8.911309 0.027787 -1.050785
H -9.395186 3.103889 -0.978979
H -10.616541 1.866273 -1.382941
H -9.227065 2.134500 -2.471064


