%chk=000022076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022076

1 1
 P    1.866600      4.4500001E-02  0.7646000    
 O    1.074700      -1.251200      0.2005000    
 O    1.764200       1.123600     -0.4404000    
 O    3.420800     -0.4189000      0.7464000    
 O    1.401900      0.5353000       2.106800    
 N   -3.264200      0.9108000      0.1751000    
 C   -2.385000     -0.3158000     -8.0300003E-02
 C   -4.326700      0.5465000       1.208100    
 C   -3.909500       1.335000      -1.141200    
 C   -2.462500       2.093800      0.7140000    
 C   -1.063000     -0.1895000      0.1865000    
 C   -3.003400      -1.424600     -0.5528000    
 C  -0.2623000      -1.307400     -4.7400001E-02
 C   -2.202700      -2.542500     -0.7868000    
 C  -0.8321000      -2.483900     -0.5341000    
 C    2.489400       2.335400     -0.3241000    
 C    4.002100     -0.9059000     -0.4510000    
 C    2.242400       3.178200      -1.557000    
 C    5.449200      -1.263400     -0.1868000    
 H   -3.827500      0.1731000       2.108100    
 H   -4.896200       1.451600       1.443000    
 H   -5.007200     -0.2037000      0.7965000    
 H   -4.597900      0.5588000      -1.486800    
 H   -4.473000       2.256400     -0.9617000    
 H   -3.119300       1.515100      -1.877100    
 H   -1.723200       2.409500     -2.9899999E-02
 H   -3.161300       2.923300      0.8726000    
 H   -2.020400       1.831000       1.680800    
 H  -0.6023000      0.7091000      0.5572000    
 H   -4.064400      -1.495000     -0.7583000    
 H   -2.646000      -3.458700      -1.166100    
 H  -0.2133000      -3.357900     -0.7181000    
 H    2.152700       2.869200      0.5703000    
 H    3.557100       2.119900     -0.2225000    
 H    3.455100      -1.792400     -0.7859000    
 H    3.942700     -0.1416000      -1.231100    
 H    2.784200       4.126200      -1.497600    
 H    2.561300       2.644400      -2.458400    
 H    1.173800       3.387900      -1.672800    
 H    5.928600      -1.647300      -1.091600    
 H    6.004800     -0.3868000      0.1627000    
 H    5.521900      -2.021000      0.6005000    


%chk=000022076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022076

1 1
P 1.917393 0.681886 0.063170
O 1.034171 -0.704419 -0.585972
O 2.500982 1.284681 -1.431564
O 3.183925 -0.100561 0.874937
O 1.074532 1.667921 0.979016
N -3.599243 0.619889 0.791055
C -2.622328 -0.205202 -0.056747
C -4.476115 -0.323931 1.625347
C -4.481535 1.469178 -0.134565
C -2.885884 1.570052 1.757057
C -1.239160 -0.021422 0.106242
C -3.151510 -1.131845 -0.981599
C -0.359516 -0.789231 -0.700787
C -2.250024 -1.889066 -1.763922
C -0.856597 -1.723118 -1.636306
C 3.107148 2.672097 -1.471138
C 4.083403 -1.093675 0.166878
C 3.453581 2.925163 -2.931666
C 5.150257 -1.472019 1.184219
H -3.821074 -0.935223 2.263063
H -5.160504 0.279031 2.242298
H -5.051527 -0.977530 0.956312
H -5.046940 0.810360 -0.807160
H -5.174190 2.063875 0.481123
H -3.830621 2.128658 -0.726937
H -2.255623 2.272158 1.193028
H -3.656084 2.125616 2.313733
H -2.267843 0.990793 2.457521
H -0.802403 0.688204 0.812799
H -4.226834 -1.284600 -1.114932
H -2.643718 -2.611122 -2.485178
H -0.152674 -2.298417 -2.242910
H 2.360835 3.387468 -1.081456
H 4.002654 2.683852 -0.822508
H 3.460648 -1.953596 -0.135694
H 4.504663 -0.604305 -0.729994
H 3.904446 3.929449 -3.032951
H 4.178874 2.181524 -3.301274
H 2.551705 2.883572 -3.564584
H 5.839945 -2.209054 0.732909
H 5.736292 -0.590563 1.492234
H 4.696592 -1.925429 2.080802


