%chk=000168998.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168998

0 1
 P   0.4120000     -4.0800001E-02 -0.3633000    
 O   0.2261000     -0.1601000      -1.861800    
 N   -1.032100      0.1670000      0.4473000    
 N    1.134100      -1.406600      0.3078000    
 N    1.359100       1.273700      8.6000003E-02
 C   -2.272300     -9.6400000E-02 -0.2640000    
 C   -1.843700       1.301100      3.5000000E-02
 C   -3.448300     -0.6680000      0.4341000    
 C    2.435600      -1.802900     -0.2445000    
 C   0.3052000      -2.609700      0.4444000    
 C    1.685800       1.474800       1.500400    
 C    1.038600       2.567900     -0.5214000    
 H   -2.206900     -0.4445000      -1.286300    
 H   -1.554900       1.892900     -0.8220000    
 H   -2.328900       1.841800      0.8359000    
 H   -3.398100      -1.761600      0.4244000    
 H   -3.512200     -0.3430000       1.478200    
 H   -4.371500     -0.3675000     -7.1500003E-02
 H    2.334800      -2.177500      -1.268600    
 H    2.912800      -2.572000      0.3723000    
 H    3.116600     -0.9462000     -0.2631000    
 H  -6.0999999E-03  -2.987500     -0.5351000    
 H  -0.5929000      -2.396900       1.031600    
 H   0.8383000      -3.404600      0.9777000    
 H    2.081400      0.5548000       1.940900    
 H   0.8042000       1.775400       2.075700    
 H    2.462100       2.238200       1.621800    
 H   0.7868000       2.450800      -1.580000    
 H    1.910400       3.230700     -0.4818000    
 H   0.2104000       3.072400     -1.5600000E-02


%chk=000168998-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168998

0 1
P 0.310366 0.141854 -0.463914
O 0.113661 0.344533 -2.050676
N -1.237107 0.120586 0.476780
N 1.053845 -1.318271 0.139580
N 1.313468 1.401998 0.184977
C -2.513592 -0.180414 -0.311543
C -2.211349 1.236443 0.129315
C -3.543312 -1.046435 0.386200
C 2.386776 -1.653081 -0.398068
C 0.251719 -2.462914 0.604193
C 1.675560 1.443093 1.607805
C 1.592755 2.602648 -0.616025
H -2.356930 -0.368195 -1.383985
H -1.921911 1.952701 -0.651245
H -2.728720 1.659011 0.997262
H -3.288956 -2.118200 0.292357
H -3.598196 -0.798082 1.460347
H -4.543018 -0.893120 -0.061600
H 2.331512 -2.313186 -1.289314
H 2.978496 -2.166286 0.384135
H 2.917975 -0.728521 -0.682846
H -0.038251 -3.151174 -0.219990
H -0.654596 -2.094900 1.109694
H 0.848828 -3.038774 1.337364
H 1.493705 0.456570 2.065737
H 1.089424 2.206290 2.162322
H 2.751760 1.685246 1.718094
H 1.269875 2.422864 -1.655641
H 2.680211 2.817734 -0.614958
H 1.062399 3.495679 -0.221857


