%chk=000004796.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004796

0 1
 P   -4.046200      0.6253000     -0.8307000    
 P   -2.769200      -1.945600     -0.1459000    
 P  -9.5399998E-02  -3.549200      0.8273000    
 F  -0.9679000      -1.362800       1.344000    
 F  -0.4476000      -1.737300     -0.7357000    
 O  -0.6507000       1.603300     -0.1801000    
 O  -0.6767000       4.995400      0.9871000    
 O    1.495200       3.144900       2.213300    
 O   -3.311400       2.054600      -1.023500    
 O   -2.841100     -0.3508000     -0.3822000    
 O   -4.353200      0.1508000      -2.346600    
 O   -5.240000      0.6371000      7.8299999E-02
 O   -3.593800      -2.134600       1.232300    
 O   -3.274700      -2.778000      -1.286700    
 O  -0.3668000      -4.714900     -0.2594000    
 O  -0.8204000      -4.111300       2.158600    
 O    1.347400      -3.183300       1.010600    
 N    1.664700       1.143800     -0.3362000    
 N    2.810400      0.7170000      -2.201700    
 N    3.115000      7.7000000E-02   1.294800    
 N    5.065800     -0.9265000      0.2256000    
 N    5.429700     -0.8257000      -2.137600    
 C  -0.6133000       3.586700       1.102900    
 C   0.8121000       3.095600      0.9730000    
 C   -1.285500       2.888500     -6.7699999E-02
 C   0.6027000       1.653600      0.5286000    
 C   -2.780300       2.700800      0.1200000    
 C    2.772300      0.4427000      5.0500002E-02
 C    1.733200       1.282300      -1.697900    
 C    3.469000      0.1885000      -1.120100    
 C    4.657700     -0.5246000      -1.002200    
 C   -1.121600      -2.237700      0.3250000    
 C    4.280700     -0.6055000       1.282200    
 H   -1.053000       3.294300       2.064100    
 H    1.378900       3.689200      0.2466000    
 H   -1.102000       3.422200      -1.009100    
 H   0.5248000      0.9623000       1.376200    
 H   -3.283400       3.666300      0.2299000    
 H   -2.985500       2.102800       1.015300    
 H  -0.1387000       5.371200       1.704700    
 H   0.9868000       2.632500       2.864600    
 H   0.9792000       1.806000      -2.269900    
 H    4.637300     -0.9437000       2.249200    
 H   -4.865900     -0.6730000      -2.490500    
 H    5.127200     -0.5271000      -3.055000    
 H    6.289700      -1.345400      -2.026100    
 H   -4.571300      -2.055100       1.214500    
 H   0.1406000      -5.551800     -0.1946000    
 H  -0.3951000      -4.839800       2.659000    


%chk=000004796-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004796

0 1
P -4.042825 0.606399 -1.075697
P -3.138162 -2.307913 -1.406491
P -0.552394 -3.142177 0.476942
F -0.478195 -2.186212 -2.140997
F -1.350864 -4.287256 -1.920027
O -0.685688 1.297233 0.127202
O -0.703968 4.589227 1.735766
O 1.472406 2.561383 2.822526
O -3.302281 2.105058 -0.909174
O -2.927509 -0.575365 -1.742065
O -5.049930 0.987727 -2.379663
O -4.690662 -0.024614 0.253373
O -3.505256 -2.308290 0.277006
O -4.167949 -2.997173 -2.388729
O 0.587965 -4.402925 0.343360
O -1.790659 -3.975773 1.309971
O 0.015031 -1.762295 0.996046
N 1.672066 0.793534 0.035314
N 2.856271 -0.165719 -1.678449
N 3.566795 1.395192 1.543802
N 5.733238 0.739026 0.603256
N 5.953816 -0.329200 -1.491669
C -0.623144 3.139501 1.674043
C 0.804179 2.582770 1.549267
C -1.264280 2.653105 0.357164
C 0.554387 1.182190 0.917533
C -2.771651 2.525830 0.437299
C 3.016031 0.867126 0.403143
C 1.632392 0.152752 -1.213209
C 3.732133 0.271702 -0.667894
C 5.150126 0.219646 -0.533466
C -1.307898 -2.994573 -1.337752
C 4.931425 1.286530 1.558885
H -1.104434 2.668827 2.559209
H 1.350538 3.206087 0.805211
H -0.975181 3.333413 -0.466565
H 0.411248 0.396242 1.679341
H -3.230978 3.510291 0.622362
H -3.083137 1.798696 1.209098
H -0.165640 4.893917 2.510192
H 2.406648 2.183908 2.619737
H 0.691433 -0.031864 -1.721114
H 5.439683 1.685488 2.441060
H -5.353430 0.216672 -2.927416
H 5.539377 -0.724984 -2.333269
H 6.960739 -0.347983 -1.342739
H -4.111762 -1.501177 0.535421
H 0.240555 -5.298683 0.593948
H -2.670905 -3.474298 1.257709


