%chk=000019736.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019736

0 1
 P  -2.0999999E-03 -3.0000001E-04 -0.4363000    
 O    1.015900      -1.054600      0.2550000    
 O   -1.420600     -0.3496000      0.2566000    
 O   0.4051000       1.402900      0.2563000    
 O  -2.2000000E-03 -1.9999999E-04  -1.939400    
 C    2.367800      -1.066400      8.6300001E-02
 C   -2.110300      -1.519300      8.6400002E-02
 C  -0.2628000       2.585100      8.6199999E-02
 C    3.158600      -2.020500      0.7268000    
 C   -3.328400      -1.722000      0.7285000    
 C   0.1712000       3.741400      0.7279000    
 C    5.132700      -1.063200     -0.2852000    
 C   -3.488200      -3.909200     -0.2856000    
 C   -1.643100       4.973700     -0.2856000    
 C    4.541000      -2.018900      0.5410000    
 C   -4.018900      -2.919600      0.5420000    
 C  -0.5205000       4.938400      0.5416000    
 C    2.959500     -0.1107000     -0.7398000    
 C   -1.576600      -2.503700     -0.7403000    
 C   -1.382400       2.615400     -0.7402000    
 C    4.342000     -0.1093000     -0.9256000    
 C   -2.267100      -3.701200     -0.9267000    
 C   -2.073900       3.812300     -0.9265000    
 C    2.541900      -3.049200       1.615900    
 C   -3.910000     -0.6743000       1.619100    
 C    1.369500       3.721000       1.618300    
 C    6.610500      -1.060800     -0.4849000    
 C   -4.225600      -5.189800     -0.4859000    
 C   -2.383200       6.252800     -0.4858000    
 H    5.161700      -2.759400       1.040000    
 H   -4.972000      -3.085500       1.038700    
 H  -0.1895000       5.845900       1.041100    
 H    2.391800      0.6530000      -1.258500    
 H  -0.6322000      -2.393400      -1.259700    
 H   -1.759800       1.742200      -1.259000    
 H    4.791800      0.6417000      -1.569800    
 H   -1.844300      -4.464200      -1.575100    
 H   -2.948600       3.826900      -1.571600    
 H    2.034300      -2.567700       2.458100    
 H    1.817000      -3.650000       1.056400    
 H    3.289000      -3.735600       2.028700    
 H   -4.069000      0.2540000       1.060300    
 H   -4.877100     -0.9787000       2.033300    
 H   -3.237800     -0.4757000       2.460300    
 H    1.591600       4.711400       2.030000    
 H    1.204200       3.041900       2.461200    
 H    2.252200       3.391400       1.060200    
 H    7.016000      -2.077400     -0.4403000    
 H    6.877500     -0.6527000      -1.465700    
 H    7.093100     -0.4557000      0.2891000    
 H   -4.926600      -5.092900      -1.320800    
 H   -3.537300      -6.014400     -0.7004000    
 H   -4.785900      -5.466700      0.4136000    
 H   -1.704700       7.111600     -0.4425000    
 H   -2.870700       6.279600      -1.466300    
 H   -3.147800       6.369400      0.2885000    


%chk=000019736-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019736

0 1
P 0.065399 -0.000024 -0.385836
O 1.105218 -1.094631 0.464581
O -1.441924 -0.322837 0.406709
O 0.498828 1.490581 0.384845
O 0.088133 -0.047188 -1.972101
C 2.487146 -1.253730 0.099418
C -2.261276 -1.443343 0.032315
C -0.154385 2.725897 0.044873
C 3.459487 -0.823569 1.037235
C -2.431577 -2.471455 0.993664
C -0.923994 3.348769 1.059618
C 5.203311 -1.716564 -0.493067
C -3.997075 -3.573640 -0.592100
C -1.303771 5.238083 -0.510151
C 4.814219 -1.076694 0.712735
C -3.313099 -3.524821 0.650808
C -1.481209 4.613121 0.752116
C 2.827863 -1.894639 -1.106178
C -2.915699 -1.453659 -1.213490
C 0.049344 3.309626 -1.219265
C 4.190326 -2.122451 -1.397697
C -3.780872 -2.525985 -1.521896
C -0.531168 4.567763 -1.491294
C 3.051785 -0.128448 2.319387
C -1.691296 -2.433769 2.314218
C -1.133645 2.676078 2.399903
C 6.671977 -1.937673 -0.812746
C -4.949738 -4.714569 -0.906540
C -1.948101 6.581834 -0.805387
H 5.588047 -0.759387 1.423460
H -3.464843 -4.334678 1.375815
H -2.076818 5.121114 1.521391
H 2.040462 -2.203599 -1.800630
H -2.737969 -0.643861 -1.927948
H 0.647039 2.785285 -1.971393
H 4.464493 -2.620286 -2.334841
H -4.289485 -2.545449 -2.492536
H -0.378415 5.029910 -2.473305
H 2.425530 0.756621 2.104176
H 2.444859 -0.795119 2.959501
H 3.937397 0.193908 2.892461
H -1.995116 -1.558066 2.917212
H -1.886407 -3.346149 2.902683
H -0.601878 -2.341021 2.152117
H -1.807126 3.270431 3.040103
H -1.567165 1.668018 2.266573
H -0.174983 2.538955 2.933542
H 7.241802 -2.239012 0.084618
H 6.805398 -2.720073 -1.579702
H 7.139256 -1.011558 -1.200320
H -5.924162 -4.571764 -0.400186
H -5.148128 -4.788653 -1.989687
H -4.545693 -5.685355 -0.566968
H -1.878729 7.264222 0.060860
H -1.471577 7.077804 -1.668643
H -3.023295 6.464899 -1.043127


