%chk=000097811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097811

0 1
 P    1.961100      0.3962000     -0.5808000    
 O    3.388300      0.4659000      0.1802000    
 O    1.592000      -1.181800     -0.5987000    
 O    1.146300       2.462300      0.6853000    
 O    1.967100       1.038600      -1.939000    
 O   -4.832000      -1.188200      0.3364000    
 O   -3.126900      -2.022900       1.438600    
 N   -3.628400      -1.150000      0.6895000    
 C   0.7690000       1.092800      0.5606000    
 C  -0.6790000       1.022200      0.1491000    
 C   -1.468400     -2.2500001E-02  0.6072000    
 C   -1.200500       2.004000     -0.6807000    
 C    3.597400     -0.2037000       1.410900    
 C    2.358300      -2.046900      -1.418800    
 C   -2.809000     -8.6700000E-02  0.2271000    
 C   -2.540800       1.939900      -1.060800    
 C   -3.345300      0.8946000     -0.6068000    
 C    5.017500      4.5200001E-02   1.872500    
 C    1.833300      -3.459100      -1.271900    
 H   0.8672000      0.6445000       1.553900    
 H   -1.025600     -0.7763000       1.253600    
 H  -0.5907000       2.819900      -1.057700    
 H    2.903800      0.1767000       2.164400    
 H    3.427900      -1.276500       1.284600    
 H    2.274500      -1.721800      -2.460500    
 H    3.410100      -2.000600      -1.120600    
 H    2.061100       2.482500       1.014300    
 H   -2.957300       2.702200      -1.712800    
 H   -4.384800      0.8767000     -0.9239000    
 H    5.213000     -0.4567000       2.824300    
 H    5.733700     -0.3180000       1.128000    
 H    5.201200       1.117900       1.994200    
 H    2.400800      -4.154100      -1.896900    
 H    1.898200      -3.787200     -0.2292000    
 H   0.7769000      -3.509200      -1.555900    


%chk=000097811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097811

0 1
P 1.926931 -0.085611 0.023242
O 3.268838 0.376450 1.054946
O 1.495355 -1.728561 0.399050
O 1.113340 2.088532 1.531993
O 2.175027 0.189482 -1.528734
O -4.622113 -1.117105 -1.475745
O -2.985491 -2.415637 -0.563976
N -3.480950 -1.267160 -0.892507
C 0.607318 0.803452 1.126066
C -0.705532 0.952898 0.390838
C -1.481226 -0.197012 0.124640
C -1.153509 2.223161 -0.045703
C 4.668081 0.273704 0.547009
C 1.771973 -2.818946 -0.590388
C -2.686899 -0.050592 -0.587714
C -2.377791 2.343934 -0.743384
C -3.160018 1.205983 -1.025819
C 5.524237 1.210705 1.394980
C 0.657231 -3.852676 -0.446713
H 0.510344 0.094523 1.972485
H -1.159635 -1.191774 0.447113
H -0.538994 3.099444 0.176289
H 4.993486 -0.778410 0.653625
H 4.680851 0.553922 -0.523099
H 1.807493 -2.381403 -1.605873
H 2.760761 -3.248477 -0.343006
H 2.045843 1.967317 1.859762
H -2.719474 3.330225 -1.072825
H -4.105759 1.268931 -1.569985
H 6.581433 1.140242 1.078771
H 5.197396 2.258180 1.276231
H 5.463617 0.938301 2.462591
H 0.851509 -4.702940 -1.127050
H 0.612858 -4.239995 0.585597
H -0.326529 -3.423187 -0.703006


