%chk=000028178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028178

0 1
 P    2.475400      -4.222200     -0.1927000    
 O    2.253400     -0.3078000      0.9143000    
 O    1.367500      -3.252600     -0.8827000    
 O    3.519000      -3.059000      0.2595000    
 O    4.099300       1.684000      0.2630000    
 O    3.206700      -4.919000      -1.454100    
 O    1.991400      -5.140700      0.8862000    
 O    4.664300       2.976600      -1.562700    
 O   -6.490800     -0.2413000      0.3205000    
 N  -1.4500000E-02 -0.5178000      0.2538000    
 N   -1.411100       1.140200     -0.2661000    
 N   -1.617700      -2.236100      0.8683000    
 N   -3.910100      -1.426800      0.6538000    
 N   -4.413900      0.7906000     -7.4299999E-02
 C    1.787800      -1.891700     -0.7951000    
 C    3.284900      -1.888100     -0.5399000    
 C    1.245600      -1.227900      0.4620000    
 C    3.509600     -0.6306000      0.2807000    
 C    3.922200      0.5567000     -0.5771000    
 C   -1.273900      -1.009000      0.4492000    
 C  -0.1490000      0.7762000     -0.1748000    
 C   -2.125100      3.4000002E-02  0.1210000    
 C   -3.490300     -0.2084000      0.2354000    
 C    4.475400       2.847000     -0.3610000    
 C    4.621600       3.944700      0.6681000    
 C   -2.961700      -2.351200      0.9400000    
 C    5.065000       5.263000      3.8699999E-02
 C   -5.815700      0.7251000     -1.7899999E-02
 C   -6.447200       2.036200     -0.4704000    
 C    5.177100       6.366800       1.077700    
 C   -7.973800       2.033000     -0.4333000    
 C   -8.571600       3.356400     -0.8901000    
 H    1.528300      -1.350500      -1.710900    
 H    3.898800      -1.969500      -1.441200    
 H    1.071200      -1.948600       1.270300    
 H    4.238800     -0.7872000       1.083500    
 H    4.860800      0.3359000      -1.098500    
 H    3.142200      0.7855000      -1.313000    
 H   0.6988000       1.405200     -0.4101000    
 H    2.719800      -5.595400      -1.971400    
 H    3.652800       4.076800       1.162800    
 H    5.360600       3.622300       1.410100    
 H   -3.333600      -3.314800       1.271700    
 H   -4.007800       1.672400     -0.3804000    
 H    4.350300       5.567800     -0.7352000    
 H    6.033400       5.132400     -0.4589000    
 H   -6.104000       2.241100      -1.491800    
 H   -6.064900       2.835500      0.1761000    
 H    5.496800       7.300800      0.6054000    
 H    4.213800       6.545500       1.565900    
 H    5.910200       6.107100       1.848000    
 H   -8.317500       1.816400      0.5854000    
 H   -8.356700       1.227300      -1.071100    
 H   -8.277500       3.583000      -1.919800    
 H   -9.664400       3.313400     -0.8491000    
 H   -8.238300       4.177900     -0.2482000    


%chk=000028178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028178

0 1
P 3.411375 -3.753646 -0.456110
O 1.820496 0.318206 0.012448
O 1.837540 -3.124074 0.008725
O 3.803057 -2.386929 -1.490268
O 4.480931 1.705434 0.179085
O 3.096652 -4.958347 -1.632706
O 4.384425 -4.181214 0.710278
O 5.178911 3.299279 -1.369274
O -6.839390 0.328919 1.316714
N -0.436522 -0.377280 -0.153451
N -2.180643 0.616472 -1.266534
N -1.650316 -1.129680 1.886682
N -4.039665 -0.526039 1.807148
N -4.971620 0.661518 -0.094659
C 1.457188 -1.942269 -0.793473
C 2.778448 -1.339545 -1.381196
C 0.903730 -0.836550 0.160196
C 3.145989 -0.230336 -0.362571
C 4.001883 0.874867 -0.949015
C -1.563016 -0.528090 0.672428
C -0.870238 0.322647 -1.295563
C -2.626719 0.085136 -0.039662
C -3.907956 0.065496 0.584319
C 5.056405 2.940555 -0.177663
C 5.462518 3.711066 1.064157
C -2.925447 -1.079764 2.383429
C 6.237488 5.005795 0.746719
C -6.345016 0.779175 0.258561
C -7.150452 1.520770 -0.821539
C 6.592450 5.789454 2.027368
C -8.622839 1.738387 -0.422677
C -9.421327 2.461010 -1.527232
H 0.730048 -2.258543 -1.558270
H 2.629419 -0.933366 -2.394553
H 0.888390 -1.220878 1.198113
H 3.640841 -0.674068 0.526059
H 4.874315 0.444406 -1.476000
H 3.427580 1.499772 -1.656733
H -0.184554 0.615883 -2.086388
H 3.438645 -5.859516 -1.397035
H 4.540434 3.938216 1.636316
H 6.054908 3.038371 1.713805
H -3.080436 -1.539336 3.363418
H -4.696545 1.071852 -0.994890
H 5.632259 5.635555 0.068805
H 7.158596 4.753657 0.188343
H -7.097388 0.939275 -1.766265
H -6.664832 2.496696 -1.031884
H 7.153172 6.709998 1.784958
H 5.682099 6.086674 2.581445
H 7.218630 5.184059 2.709684
H -8.660261 2.317180 0.518682
H -9.082022 0.759459 -0.193552
H -9.424985 1.878466 -2.468226
H -10.472489 2.609700 -1.221256
H -8.992447 3.456664 -1.749641


