%chk=000000623.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000623

0 1
 P    4.133900      0.9884000      1.9800000E-02
 P    4.445200      -1.936200      8.2099997E-02
 O  -0.8180000      0.2727000      0.6119000    
 O   0.1425000       3.035100     -8.9500003E-02
 O    2.599100      0.9236000     -0.4868000    
 O   -4.645500       1.700600      0.8997000    
 O    4.395000     -0.4489000      0.7123000    
 O    4.101800       2.005500       1.277500    
 O    5.131000       1.349500      -1.042900    
 O    4.912800      -2.848300       1.331700    
 O    5.752800      -1.895600     -0.8668000    
 O    3.177800      -2.373900     -0.5907000    
 N   -3.108500      0.1583000      0.1345000    
 N   -5.464200     -0.3368000      0.3246000    
 N   -6.296400      -2.426900     -0.2647000    
 C  -0.1595000       1.934000     -0.9378000    
 C   0.2382000      0.6046000     -0.3092000    
 C   -1.661600       1.786900      -1.021600    
 C   -1.982300       1.036800      0.2636000    
 C    1.565300      0.5924000      0.4264000    
 C   -2.899900      -1.129200     -0.3380000    
 C   -4.424400      0.5649000      0.4753000    
 C   -3.886000      -2.011300     -0.4889000    
 C   -5.249100      -1.546300     -0.1225000    
 H   0.3186000       2.102000      -1.907200    
 H   0.2441000     -0.1683000      -1.088800    
 H   -2.204700       2.735400      -1.079200    
 H   -1.924700       1.189800      -1.903400    
 H   -2.159600       1.746500       1.080400    
 H    1.746000     -0.3997000      0.8527000    
 H    1.560000       1.300900       1.261600    
 H  -0.1876000       3.839000     -0.5259000    
 H   -1.891700      -1.415300     -0.6129000    
 H   -3.730800      -3.013600     -0.8652000    
 H    4.091200       2.971200       1.106100    
 H   -6.161700      -3.371900     -0.6086000    
 H   -7.243300      -2.152300     -2.6500000E-02
 H    4.937300      -3.823100       1.225300    
 H    5.954900      -2.672400      -1.430600    


%chk=000000623-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000623

0 1
P 3.585319 0.909533 -0.347126
P 5.868746 -1.093242 0.515867
O -0.900371 -0.594497 0.486921
O 0.699776 2.032026 0.982009
O 2.786554 -0.674428 -0.119660
O -4.103318 2.014962 0.580501
O 5.193758 0.392562 -0.213840
O 3.255497 1.728912 1.087074
O 3.199158 1.610967 -1.712277
O 7.337766 -1.170142 -0.319779
O 4.912719 -2.277044 -0.262271
O 6.012554 -1.097484 2.080157
N -3.197367 -0.055036 -0.014113
N -5.564065 0.389088 -0.307272
N -6.952031 -1.238822 -1.202618
C 0.196688 1.417817 -0.287367
C 0.340155 -0.121528 -0.194575
C -1.322029 1.603152 -0.412143
C -1.903073 0.481003 0.484840
C 1.500985 -0.716478 0.621970
C -3.340208 -1.327740 -0.517727
C -4.335612 0.860734 0.108778
C -4.576477 -1.777903 -0.942641
C -5.689365 -0.860676 -0.812666
H 0.774238 1.837768 -1.129984
H 0.370819 -0.527649 -1.225777
H -1.694811 2.595324 -0.112139
H -1.628318 1.439246 -1.460910
H -2.069246 0.828575 1.519247
H 1.306127 -1.788744 0.777064
H 1.604830 -0.220964 1.601931
H 0.198880 2.857704 1.188866
H -2.436245 -1.940305 -0.538517
H -4.694502 -2.788234 -1.338155
H 2.255779 2.009233 1.156215
H -7.144693 -2.159193 -1.587979
H -7.707467 -0.565089 -1.084283
H 7.272609 -1.136308 -1.308621
H 3.934238 -2.009004 -0.261198


