%chk=000121885.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121885

0 1
 P   -4.236000       1.800100     -0.9249000    
 P   -4.861200     -0.7083000      0.4832000    
 P   -2.689400      -2.666900      9.4400004E-02
 O   0.1761000      0.6537000       2.138400    
 O   4.9400002E-02   2.155000      -1.197400    
 O   -2.649000       1.507100     -0.9770000    
 O   -4.779300      0.8933000      0.2968000    
 O   -4.351300       3.306800     -0.3470000    
 O    3.076100      -2.291300     -0.6991000    
 O   -4.956000       1.577900      -2.223200    
 O   -3.344500      -1.194200      0.2118000    
 O   -5.658200      -1.210600     -0.8305000    
 O   -5.441500      -1.171300       1.786900    
 O   -1.107800      -2.355400     -2.3600001E-02
 O   -2.844100      -3.271100       1.585200    
 O   -3.255500      -3.517500      -1.004300    
 N    4.282500       2.018700      0.7525000    
 N    2.293600      0.1228000      0.3159000    
 N    5.901500      0.4240000     -6.6900000E-02
 N    5.300600      -1.735700     -0.7946000    
 N    7.535800      -1.003700     -0.8271000    
 C   0.5116000       1.550000       1.092600    
 C  -0.4018000       1.345000     -0.1096000    
 C    1.965600       1.286400      0.7934000    
 C    2.937200       2.416100       1.075800    
 C   -1.858700       1.683000      0.1948000    
 C    4.611000      0.7831000      0.2444000    
 C    3.620200     -0.1116000      4.4799998E-02
 C    3.970900      -1.469600     -0.5125000    
 C    6.202000     -0.8159000     -0.5733000    
 H   0.4082000       2.576000       1.465100    
 H  -0.3523000      0.3052000     -0.4538000    
 H    2.869600       2.681700       2.135500    
 H    2.649200       3.285600      0.4767000    
 H   -1.939100       2.732500      0.4975000    
 H   -2.246100       1.056100       1.002300    
 H    5.042800       2.674700      0.8940000    
 H   0.6747000      0.9218000       2.929300    
 H  -0.5609000       2.010500      -1.940600    
 H    6.622000       1.118800      9.4400004E-02
 H    8.216700     -0.2739000     -0.6474000    
 H    7.880200      -1.880200      -1.203600    
 H   -4.209000       4.061100     -0.9577000    
 H   -6.633400      -1.110200     -0.8615000    
 H  -0.4894000      -3.096000     -0.2005000    
 H   -2.584600      -4.202600       1.749500    


%chk=000121885-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121885

0 1
P -4.273025 1.838259 -0.710627
P -3.886612 -1.248727 -0.314443
P -1.241248 -2.733552 0.444712
O -0.189543 0.791854 2.175924
O -0.043081 3.210066 -0.640189
O -2.865192 2.742566 -0.476824
O -4.155709 0.424639 0.267240
O -5.407937 2.805314 0.110128
O 2.353519 -2.592512 0.362871
O -4.584747 1.463042 -2.232008
O -2.196172 -1.313346 -0.310693
O -4.454712 -1.195123 -1.898356
O -4.577974 -2.308610 0.643631
O 0.070757 -1.900786 0.983870
O -2.174478 -3.005135 1.843461
O -1.100507 -3.896608 -0.616732
N 4.071792 1.884980 0.114923
N 1.977293 0.169604 0.786843
N 5.478681 -0.024327 -0.345056
N 4.590249 -2.272536 -0.216851
N 6.832408 -1.928522 -0.765867
C 0.370922 1.840787 1.353886
C -0.615985 2.130130 0.182705
C 1.733196 1.448071 0.786169
C 2.696981 2.474475 0.176330
C -1.980985 2.537247 0.731503
C 4.243984 0.525966 0.002095
C 3.177550 -0.338580 0.277789
C 3.331119 -1.774424 0.144389
C 5.593699 -1.431397 -0.430128
H 0.459661 2.747769 1.983132
H -0.728042 1.199913 -0.411945
H 2.727281 3.390151 0.793479
H 2.329001 2.768123 -0.826513
H -1.950694 3.520231 1.229720
H -2.385764 1.757602 1.397268
H 4.868362 2.522040 0.089790
H 0.056395 -0.112358 1.796482
H -0.723540 3.471080 -1.312978
H 6.264322 0.580161 -0.597866
H 7.663921 -1.357098 -0.888430
H 6.902285 -2.941956 -0.838546
H -6.343333 2.475260 0.097861
H -4.520248 -0.260756 -2.317675
H 1.124808 -2.188662 0.689488
H -3.170255 -3.033316 1.665141


