%chk=000013754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013754

0 1
 P   -1.889400      0.3621000      0.5476000    
 O   -1.007700     -0.8801000      9.3999999E-03
 O   -3.418900     -7.3100001E-02  0.2342000    
 O   -1.585400       1.534900     -0.5305000    
 O   -1.615700      0.7669000       1.968700    
 N    1.012500      0.2059000      0.3513000    
 N    3.086500     -0.8976000     -0.1855000    
 C    3.111400       1.344200      0.7111000    
 C    2.354700      0.1400000      0.2634000    
 C    2.894400       1.655000       2.204400    
 C    2.788000       2.591100     -0.1339000    
 C   0.3589000     -0.9003000     -6.1900001E-02
 C    2.370200      -1.970000     -0.5823000    
 C   0.9922000      -2.028600     -0.5431000    
 C    3.141900      -3.142800      -1.087000    
 C   -3.966700      -1.170500      0.9437000    
 C   -1.796400       1.300600      -1.912500    
 C   -5.393700      -1.389500      0.4881000    
 C   -1.436700       2.551700      -2.685300    
 H    4.183400       1.142500      0.5816000    
 H    1.849500       1.910400       2.413100    
 H    3.519000       2.497500       2.519600    
 H    3.156500      0.7890000       2.822300    
 H    2.974300       2.398100      -1.196200    
 H    3.411200       3.438400      0.1710000    
 H    1.738100       2.886300     -2.7799999E-02
 H   0.4390000      -2.901300     -0.8674000    
 H    2.867000      -3.362000      -2.123600    
 H    4.219000      -2.947300      -1.057700    
 H    2.942200      -4.024400     -0.4696000    
 H   -3.367000      -2.064800      0.7484000    
 H   -3.940400     -0.9551000       2.016400    
 H   -1.174200      0.4658000      -2.247100    
 H   -2.847100       1.046700      -2.082000    
 H   -5.848100      -2.231500       1.017700    
 H   -5.997000     -0.4930000      0.6655000    
 H   -5.428400      -1.588300     -0.5882000    
 H   -1.590100       2.406200      -3.758200    
 H   -2.045200       3.399000      -2.352600    
 H  -0.3902000       2.823600      -2.511300    


%chk=000013754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013754

0 1
P -1.781702 0.380211 0.535575
O -0.937851 -1.055972 -0.172010
O -3.360274 -0.147425 0.093781
O -1.584226 1.688765 -0.540858
O -1.531167 0.673746 2.066132
N 1.076401 0.066868 0.228766
N 3.211946 -1.008638 -0.118164
C 3.130414 1.337205 0.702006
C 2.447546 0.062940 0.241433
C 2.778473 1.612766 2.189296
C 2.714139 2.532716 -0.194899
C 0.454304 -1.064889 -0.155772
C 2.558992 -2.157917 -0.513282
C 1.147035 -2.233426 -0.546208
C 3.433627 -3.325634 -0.899297
C -4.014776 -1.214645 0.912040
C -1.979437 1.552881 -1.982898
C -5.463583 -1.283239 0.441467
C -1.567724 2.864933 -2.640409
H 4.217054 1.161534 0.606475
H 1.686895 1.730026 2.309372
H 3.274315 2.540012 2.529471
H 3.112590 0.785219 2.841140
H 3.000778 2.364590 -1.249464
H 3.211394 3.456299 0.152888
H 1.620738 2.681438 -0.146581
H 0.615466 -3.136663 -0.849705
H 2.839754 -4.196929 -1.220153
H 4.116730 -3.032764 -1.716391
H 4.069658 -3.618908 -0.044843
H -3.478927 -2.166273 0.736243
H -3.938711 -0.942315 1.981479
H -1.449870 0.685713 -2.420895
H -3.068406 1.376714 -2.029254
H -6.002205 -2.068784 1.003278
H -5.973915 -0.319857 0.608608
H -5.513772 -1.526844 -0.633430
H -1.836053 2.844539 -3.713235
H -2.084543 3.716189 -2.166570
H -0.479507 3.021517 -2.551335


