%chk=000129170.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129170

0 1
 P    3.846400     -0.6879000      -1.360100    
 P    3.858100      -1.828600       1.351400    
 O  -0.2050000      5.3399999E-02 -3.3799998E-02
 O    2.307600     -0.1953000      -1.263700    
 O   -3.356200     -0.1061000       2.625900    
 O    4.327000     -0.8216000      0.1777000    
 O    4.652900      0.6110000      -1.889000    
 O   -5.794500      -2.298900     -0.5982000    
 O    4.060400      -1.926300      -2.181500    
 O    4.358800      -3.272900      0.8261000    
 O    4.880900      -1.489100       2.556000    
 O    2.402700      -1.743900       1.704700    
 N   -2.479700     -0.2017000      0.4641000    
 N   4.7499999E-02   3.603900     -0.6443000    
 N   -4.561600      -1.197300       1.008300    
 N   0.1617000       4.675500     -2.5900001E-02
 N   0.2667000       5.664700      0.5321000    
 C   5.5999998E-03   2.401600      0.1792000    
 C   0.4802000       1.184900     -0.6000000    
 C   -1.419600       2.020800      0.5027000    
 C   -1.288700      0.5335000      0.7749000    
 C    1.979600      0.9623000     -0.5162000    
 C   -2.661200     -0.6483000     -0.8386000    
 C   -3.451100     -0.4708000       1.452100    
 C   -3.725100      -1.343000      -1.259900    
 C   -4.792800      -1.665500     -0.2763000    
 C   -3.900700      -1.814400      -2.667700    
 H   0.5837000       2.514100       1.107200    
 H   0.1751000       1.236400      -1.653200    
 H   -2.077400       2.216800     -0.3543000    
 H   -1.832600       2.569100       1.355500    
 H   -1.011600      0.3656000       1.822700    
 H    2.518800       1.823500     -0.9225000    
 H    2.286600      0.8070000      0.5225000    
 H   -1.889900     -0.3912000      -1.556700    
 H   -5.274500      -1.402700       1.702600    
 H   -3.980300      -2.906000      -2.698300    
 H   -3.058400      -1.524800      -3.304900    
 H   -4.809500      -1.386800      -3.103500    
 H    4.633900      0.8235000      -2.846400    
 H    4.118100      -4.074000       1.338300    
 H    4.746500      -1.917600       3.428000    


%chk=000129170-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129170

0 1
P 4.309639 -0.463510 -1.149664
P 2.755539 -1.612383 1.369918
O 0.140876 0.152596 -0.197054
O 2.774817 0.262288 -1.409680
O -2.248219 -0.820424 2.812028
O 4.072532 -1.519186 0.199010
O 5.131423 0.889248 -0.475803
O -5.101018 -3.194984 -0.030229
O 4.941990 -1.182742 -2.397468
O 1.411972 -2.019744 0.438124
O 3.196628 -3.054140 2.132076
O 2.639603 -0.348063 2.315086
N -2.082285 -0.449086 0.486490
N -0.003697 3.699308 -1.021332
N -3.643140 -1.997142 1.341951
N -0.241844 4.863562 -0.571442
N -0.445472 6.011697 -0.357735
C 0.050168 2.559559 -0.058986
C 0.754733 1.381467 -0.783455
C -1.331305 1.973920 0.325476
C -1.005136 0.515538 0.701628
C 2.263542 1.385143 -0.579156
C -2.536309 -0.743834 -0.808792
C -2.629947 -1.082152 1.640492
C -3.535952 -1.646305 -1.071061
C -4.170109 -2.347019 0.061638
C -4.013027 -1.980792 -2.461584
H 0.611464 2.835572 0.857083
H 0.518003 1.397987 -1.862556
H -2.004270 2.012513 -0.549449
H -1.806803 2.506652 1.164051
H -0.690479 0.407683 1.753953
H 2.688049 2.332650 -0.956410
H 2.529271 1.247055 0.486614
H -2.005406 -0.228219 -1.613136
H -4.060132 -2.471921 2.149706
H -3.878361 -3.057597 -2.669209
H -3.468605 -1.402721 -3.227288
H -5.094378 -1.778036 -2.562944
H 6.072195 0.742011 -0.204095
H 0.878510 -1.203513 0.089179
H 3.383341 -3.820033 1.531024


