%chk=000084055.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084055

0 1
 P    4.294400       1.411500     -0.2505000    
 O   0.5164000     -4.6100002E-02 -0.2104000    
 O    1.106500      -3.130500       1.509900    
 O   -1.215700      -3.136000     -0.5546000    
 O    3.124700      0.6777000      0.5888000    
 O   -3.114600     -0.7456000      -1.972000    
 O    3.948300       1.080100      -1.795200    
 O    4.437700       2.876500      4.3600000E-02
 N   -1.820000      3.1399999E-02 -0.2268000    
 N   -4.081200      0.7849000     -0.6028000    
 N   -5.065100       2.354800      0.8029000    
 C   0.8356000      -2.298400      0.3988000    
 C  -0.6478000      -2.081300      0.2007000    
 C    1.313400     -0.8789000      0.6467000    
 C  -0.6755000     -0.7668000     -0.5632000    
 C    2.785000     -0.6759000      0.3354000    
 C   -1.746200      0.8698000      0.8748000    
 C   -3.016500     -1.2700000E-02 -0.9862000    
 C   -2.758300       1.645300       1.258900    
 C   -3.995400       1.570000      0.4390000    
 C    5.774400      0.4701000      6.1900001E-02
 H    1.299900      -2.740000     -0.4912000    
 H   -1.174000      -2.034000       1.161200    
 H    1.119900     -0.5676000       1.681400    
 H  -0.6562000     -0.9307000      -1.647100    
 H    2.985200     -0.9184000     -0.7129000    
 H    3.408900      -1.314900      0.9680000    
 H   0.6775000      -3.987100       1.343100    
 H  -0.7469000      -3.192900      -1.404500    
 H  -0.8326000      0.8763000       1.456400    
 H   -2.711000       2.295300       2.122400    
 H    6.041500      0.5203000       1.121100    
 H    5.644200     -0.5806000     -0.2107000    
 H    6.608200      0.8703000     -0.5218000    
 H    3.196800       1.543300      -2.222700    
 H   -5.929100       2.335800      0.2718000    
 H   -5.029200       2.974600       1.605400    


%chk=000084055-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084055

0 1
P 3.306935 1.195159 0.085273
O 0.940499 -0.693071 -0.562296
O 0.924542 -3.551520 1.710094
O -1.375857 -3.407784 -0.548331
O 3.766684 -0.346994 0.789276
O -3.117018 -1.352411 -0.923010
O 2.977000 0.829965 -1.570000
O 2.114553 1.928590 0.856959
N -1.359169 0.045273 -0.274185
N -3.651121 0.814254 -0.184946
N -4.136426 2.943935 0.595240
C 0.773925 -2.820790 0.461739
C -0.666564 -2.365903 0.153279
C 1.529012 -1.485580 0.577133
C -0.469031 -1.072564 -0.704307
C 3.038663 -1.572906 0.397586
C -0.894947 1.226356 0.269030
C -2.775753 -0.200852 -0.479910
C -1.792538 2.226972 0.597576
C -3.190284 1.983299 0.331023
C 4.930469 2.056787 0.012679
H 1.141902 -3.410360 -0.405310
H -1.168739 -2.092292 1.106521
H 1.284068 -0.985931 1.534506
H -0.672182 -1.286677 -1.768588
H 3.284237 -1.836776 -0.650010
H 3.429798 -2.346321 1.078711
H 0.386986 -4.381462 1.653896
H -2.249149 -2.981820 -0.813499
H 0.188106 1.339795 0.423049
H -1.430775 3.161168 1.030339
H 5.319466 2.163099 1.036268
H 5.626461 1.463175 -0.596388
H 4.785681 3.051043 -0.435796
H 2.101243 0.339455 -1.635903
H -5.109844 2.723003 0.390339
H -3.887630 3.850286 0.981563


