%chk=000012236.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012236

0 1
 P   -1.157500     -0.4272000     -0.4575000    
 P    1.772700     -0.1873000     -0.7400000    
 O   0.3148000      0.1851000     -0.1482000    
 O   -1.389400      2.8999999E-02  -2.002000    
 O   -1.163600      -1.928700     -0.3239000    
 O    2.027800      -1.686600     -0.1841000    
 O    2.775600      0.7194000      0.1499000    
 O    1.908800     -2.0500001E-02  -2.225900    
 N   -2.241900      0.4070000      0.4939000    
 C   -1.768600      0.8639000       1.802100    
 C   -3.576200     -0.1779000      0.6452000    
 C   -2.699700       1.912100       2.387400    
 C   -4.114700     -0.6693000     -0.6877000    
 C   -1.230100       1.387500      -2.377200    
 C    1.915800      -1.916600       1.209600    
 C    2.704400       2.128500      2.2800000E-02
 C    2.194300      -3.377400       1.492300    
 C    3.727500       2.758900      0.9434000    
 H  -0.7882000       1.338900       1.688300    
 H   -1.638400      2.4800001E-02   2.495400    
 H   -4.299700      0.5577000       1.008900    
 H   -3.557100      -1.018100       1.349500    
 H   -2.200500       2.416700       3.222400    
 H   -3.618600       1.478300       2.793300    
 H   -2.960500       2.681600       1.652600    
 H   -5.158600     -0.9802000     -0.5660000    
 H   -3.575400      -1.537300      -1.074900    
 H   -4.101100      0.1234000      -1.443300    
 H   -1.361000       1.466400      -3.459200    
 H  -0.2345000       1.751100      -2.115100    
 H   -1.988900       2.000400      -1.884300    
 H    2.641000      -1.294700       1.743200    
 H   0.9110000      -1.656600       1.554000    
 H    2.906600       2.407400      -1.016000    
 H    1.698500       2.467400      0.2895000    
 H    1.484000      -4.015400      0.9561000    
 H    3.195400      -3.653700       1.145200    
 H    2.120700      -3.589400       2.562700    
 H    3.540300       2.469800       1.982900    
 H    4.735900       2.413000      0.6936000    
 H    3.699800       3.849600      0.8698000    


%chk=000012236-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000012236

0 1
P -1.143866 -0.587560 0.037157
P 1.912274 0.280066 -0.405684
O 0.328465 0.324382 0.329105
O -1.203261 -0.671803 -1.688686
O -1.177273 -2.052216 0.644270
O 2.334499 -1.345744 -0.645659
O 2.876380 0.701340 0.954273
O 2.011174 1.197261 -1.692448
N -2.311417 0.493124 0.691348
C -2.147104 1.968430 0.690224
C -3.404635 -0.108909 1.509335
C -3.348574 2.720299 0.083672
C -4.596450 -0.614175 0.672126
C -1.229153 0.543706 -2.539731
C 2.235110 -2.361079 0.471127
C 2.815850 2.101398 1.476503
C 2.805729 -3.647546 -0.111711
C 3.887842 2.194785 2.556928
H -1.224364 2.214970 0.137933
H -1.986164 2.307045 1.735405
H -3.731021 0.672167 2.221842
H -2.989143 -0.944464 2.102390
H -3.160858 3.809653 0.114652
H -4.277997 2.523176 0.646686
H -3.516297 2.425920 -0.967580
H -5.388279 -1.009274 1.336007
H -4.278763 -1.431283 0.000505
H -5.027566 0.194234 0.056525
H -1.344533 0.152195 -3.561405
H -0.278152 1.100661 -2.457760
H -2.095284 1.183055 -2.286272
H 2.821451 -1.986112 1.328942
H 1.169852 -2.469712 0.746510
H 3.007099 2.802519 0.642310
H 1.802514 2.278180 1.883807
H 2.220439 -3.965215 -0.990431
H 3.858067 -3.514056 -0.413864
H 2.754100 -4.448357 0.649474
H 3.691434 1.469853 3.364878
H 4.885299 1.988589 2.134141
H 3.893277 3.211497 2.991856


