%chk=000000761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000761

0 1
 P   -5.236000       1.108100      0.6896000    
 O   -1.191700     -0.4190000      0.5797000    
 O   6.3999998E-03  -3.415100      1.5200000E-02
 O   -1.442100      -1.131500      -2.331800    
 O   -3.932400      0.1567000      0.8090000    
 O   -6.300900      0.2007000     -0.1214000    
 O   -4.778800       2.210100     -0.4020000    
 O    4.694300       2.545600     -0.8658000    
 O   -5.731500       1.671300       1.989500    
 N    1.049000     -6.6000000E-03 -7.5999998E-02
 N    3.142700     -0.7631000      0.9031000    
 N    1.839900       1.837700      -1.078900    
 N    5.023700      0.6535000      0.4316000    
 N    5.230600      -1.297100       1.738500    
 C  -9.3400002E-02  -2.160400     -0.6544000    
 C   9.3300000E-02  -1.027400      0.3587000    
 C   -1.502900      -1.961700      -1.179300    
 C   -2.194000      -1.259400     -1.5799999E-02
 C   -3.402300     -0.4150000     -0.3761000    
 C    2.373200      6.3400000E-02  0.1902000    
 C   0.7695000       1.095000     -0.8523000    
 C    2.846400       1.186700     -0.4227000    
 C    4.247900       1.542200     -0.3230000    
 C    4.488900     -0.4147000      0.9945000    
 H   0.6675000      -2.147800      -1.442400    
 H   0.4459000      -1.397600       1.328200    
 H   -2.005500      -2.895900      -1.449300    
 H   -2.469500      -1.990900      0.7550000    
 H   -4.164600      -1.031400     -0.8623000    
 H   -3.113400      0.4009000      -1.046000    
 H  -0.1589000      -4.110400     -0.6443000    
 H   -2.337100      -1.086400      -2.708900    
 H  -0.2238000       1.306100      -1.224800    
 H    2.795800      -1.601700       1.357000    
 H    4.808500      -2.113600       2.166800    
 H    6.224600      -1.156200       1.882100    
 H   -7.208700      0.5450000     -0.2610000    
 H   -5.372200       2.968700     -0.5877000    


%chk=000000761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000000761

0 1
P -2.760582 0.929071 2.432027
O -0.472303 -2.009847 0.185155
O -0.630923 -4.235725 -1.949543
O -1.462958 -0.713776 -2.609896
O -2.373145 -0.513318 1.549746
O -4.247061 1.317810 1.658370
O -1.734750 2.128149 1.834593
O 4.014928 2.580170 -0.671068
O -2.737941 0.657671 3.990523
N 1.386621 -1.281500 -1.118459
N 0.995507 0.165724 0.897680
N 3.079140 -0.056139 -2.062380
N 2.402704 2.128084 0.989676
N 0.721671 1.791746 2.631739
C -0.397592 -2.800519 -2.089763
C 0.459072 -2.412559 -0.860183
C -1.705887 -1.981093 -1.913587
C -1.851820 -1.840612 -0.373370
C -2.414844 -0.493698 0.073228
C 1.622524 -0.192648 -0.287611
C 2.317019 -1.149019 -2.180251
C 2.654283 0.567414 -0.874051
C 3.113115 1.817693 -0.245780
C 1.451815 1.357732 1.461889
H 0.074555 -2.531985 -3.052378
H 1.024745 -3.289235 -0.498865
H -2.574427 -2.517240 -2.344181
H -2.454673 -2.666581 0.043327
H -3.463754 -0.379379 -0.263042
H -1.806953 0.344233 -0.315590
H -1.061283 -4.590803 -2.766755
H -2.302113 -0.199297 -2.711805
H 2.381442 -1.874998 -2.986967
H 0.202528 -0.395301 1.241337
H 0.631892 1.084266 3.378326
H 1.158204 2.655728 2.984668
H -4.628516 2.200707 1.890701
H -0.721840 2.087873 2.195037


