%chk=000006031.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006031

0 1
 P   -3.145300      0.9424000      0.8620000    
 P   -3.973300      -1.305000     -0.8461000    
 O    1.131600       1.475100       1.110200    
 O    2.260800       3.908200     -0.2294000    
 O    3.295000       1.873200      -1.721800    
 O   -1.670800       1.580700       1.056400    
 O    4.594400     -0.5270000      0.1692000    
 O   -2.917100     -0.3116000     -0.1325000    
 O   -3.928800       2.012300     -6.4599998E-02
 O   -3.853300      0.5938000       2.139000    
 O    2.189800      -4.459200      0.1939000    
 O   -4.627400      -2.100700      0.3994000    
 O   -3.028500      -2.412600      -1.548200    
 O   -4.953000     -0.6269000      -1.757600    
 N    2.264600     -0.3958000      0.2854000    
 N    3.395200      -2.484100      0.1809000    
 C    1.343600       2.940500     -0.7389000    
 C    2.066900       1.649600      -1.060000    
 C   0.4268000       2.517400      0.4007000    
 C    2.248800       1.038900      0.3189000    
 C  -0.9038000       1.950500     -7.5900003E-02
 C    3.496700      -1.086800      0.2088000    
 C    1.069300      -1.104100      0.3283000    
 C   0.9885000      -2.436000      0.3009000    
 C    2.229200      -3.232900      0.2209000    
 H   0.8315000       3.385600      -1.595800    
 H    1.436800       1.022300      -1.702000    
 H   0.2525000       3.326500       1.119100    
 H    3.167000       1.399000      0.7982000    
 H  -0.7748000       1.080000     -0.7236000    
 H   -1.449900       2.715300     -0.6380000    
 H    2.648500       3.573800      0.5964000    
 H    3.736000       1.012100      -1.817400    
 H   0.1499000     -0.5413000      0.3894000    
 H    4.268300      -3.001200      0.1258000    
 H   3.7799999E-02  -2.953800      0.3363000    
 H   -4.304800       2.816000      0.3536000    
 H   -5.373500      -2.714800      0.2316000    
 H   -3.440500      -3.094700      -2.120100    


%chk=000006031-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006031

0 1
P -3.213237 1.146965 0.543447
P -3.608292 -1.688336 -0.036071
O 0.700442 1.218830 0.980473
O 2.481325 3.853709 0.576172
O 3.622348 2.116554 -1.013262
O -1.994268 2.242054 0.899522
O 4.069629 -0.503912 -0.808457
O -2.408654 -0.440145 0.324759
O -3.647584 1.545199 -1.057409
O -4.347350 0.963664 1.640573
O 1.853330 -4.616459 -0.970388
O -4.401838 -1.926820 1.435483
O -2.689129 -3.102681 -0.152301
O -4.435066 -1.231585 -1.324494
N 1.854549 -0.602101 -0.027757
N 2.922108 -2.539065 -0.847045
C 1.549376 3.130469 -0.273051
C 2.223204 1.826856 -0.789810
C 0.380572 2.630821 0.605069
C 1.970064 0.833993 0.385885
C -0.969360 2.668410 -0.105173
C 3.014608 -1.181964 -0.573359
C 0.700997 -1.355495 0.212075
C 0.636335 -2.696634 -0.078240
C 1.780858 -3.399046 -0.647782
H 1.210240 3.767624 -1.114750
H 1.720209 1.454033 -1.705956
H 0.339301 3.219667 1.536566
H 2.793587 0.913078 1.123931
H -1.002619 2.013401 -0.993802
H -1.233000 3.701404 -0.389855
H 3.389871 3.663577 0.202178
H 4.101779 1.227935 -1.017062
H -0.140012 -0.802461 0.634875
H 3.758322 -2.974475 -1.251193
H -0.277106 -3.255256 0.128103
H -4.141202 0.791847 -1.513377
H -4.672786 -1.050494 1.858494
H -2.706850 -3.538461 -1.043609


