%chk=000081701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081701

0 1
 P    2.146900      0.5692000      0.2769000    
 O    2.301000     -0.7941000     -0.5813000    
 O   0.8539000       1.284400     -0.3738000    
 O    2.092800      0.3708000       1.765000    
 O   -4.617200      -1.562000      0.7901000    
 O   -5.313100      0.1264000     -0.4280000    
 N   -4.392400     -0.5209000      0.1267000    
 C    3.505200       1.608100     -0.2340000    
 C    3.464800      -1.594900     -0.4786000    
 C    3.433100       2.993200      0.3731000    
 C    3.627800      -2.059000      0.9607000    
 C    3.353500      -2.766200      -1.442800    
 C  -0.4354000      0.8409000     -0.2510000    
 C  -0.7009000     -0.3110000      0.4821000    
 C   -1.468600       1.545800     -0.8595000    
 C   -2.014400     -0.7633000      0.6079000    
 C   -2.782100       1.093600     -0.7337000    
 C   -3.055000     -6.1000001E-02  9.9999997E-05
 H    4.451200       1.145200      6.4099997E-02
 H    3.510100       1.687600      -1.326200    
 H    4.335500      -1.000200     -0.7732000    
 H    4.281400       3.602100      4.6900000E-02
 H    2.509900       3.500200      7.6600000E-02
 H    3.446500       2.938300       1.465900    
 H    4.386600      -2.845000       1.036100    
 H    3.958300      -1.239900       1.605600    
 H    2.685500      -2.443200       1.365800    
 H    4.246800      -3.397200      -1.410800    
 H    3.217100      -2.404500      -2.467700    
 H    2.478600      -3.382600      -1.208000    
 H   7.4199997E-02 -0.8969000      0.9617000    
 H   -1.259900       2.445300      -1.431700    
 H   -2.189900      -1.668000       1.184500    
 H   -3.567200       1.666300      -1.220900    


%chk=000081701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081701

0 1
P 2.647691 0.771107 0.184295
O 3.248364 -0.534549 -0.769860
O 1.061255 1.173909 -0.522745
O 2.615712 0.496898 1.756375
O -4.320608 -1.138198 2.053386
O -5.028227 -0.603105 -0.049518
N -4.114020 -0.676701 0.862996
C 3.599242 2.215801 -0.497294
C 3.189577 -1.951690 -0.242900
C 3.129860 3.553612 0.105638
C 1.839113 -2.577401 -0.613485
C 4.391511 -2.650650 -0.882853
C -0.184656 0.676356 -0.116795
C -0.444449 0.180526 1.189938
C -1.210704 0.732808 -1.095021
C -1.740519 -0.265761 1.505732
C -2.505064 0.293301 -0.774822
C -2.755624 -0.206899 0.524605
H 4.659867 2.010794 -0.269901
H 3.467948 2.180999 -1.591632
H 3.304789 -1.897131 0.857714
H 3.746922 4.375043 -0.298255
H 2.076122 3.757771 -0.148319
H 3.230345 3.559311 1.204915
H 1.811325 -3.632780 -0.285235
H 0.999851 -2.050793 -0.125958
H 1.687295 -2.547683 -1.706598
H 4.442732 -3.699674 -0.538620
H 5.332051 -2.144962 -0.607097
H 4.299190 -2.646956 -1.982917
H 0.355807 0.160512 1.935761
H -0.970874 1.121688 -2.088326
H -1.979305 -0.651947 2.500180
H -3.317919 0.323945 -1.504783


