%chk=000017579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017579

0 1
 S   -2.409100       1.562800       1.900600    
 P   -2.609000      0.3018000      0.4285000    
 O   -1.721700      0.6034000     -0.9058000    
 O   -2.228900      -1.249700      0.7352000    
 O   -4.099300      0.1506000     -0.2073000    
 O  -0.5228000      -1.759600      -1.429500    
 O  -0.1695000       2.694500     -0.1885000    
 N  -0.3424000      0.4392000     -0.7089000    
 C    2.317300      7.2300002E-02 -0.1489000    
 C    1.569700      -1.021200     -0.6309000    
 C    1.758100       1.353500      3.1199999E-02
 C    3.684400     -0.1231000      0.1633000    
 C   0.1369000     -0.8366000     -0.9633000    
 C   0.3284000       1.578200     -0.2902000    
 C    2.158000      -2.278700     -0.8017000    
 C    2.530200       2.417800      0.5081000    
 C    4.260000      -1.391600     -1.2000000E-02
 C    4.445900      0.9545000      0.6425000    
 C    3.502100      -2.459700     -0.4909000    
 C    3.872500       2.214100      0.8129000    
 C   -3.034400      -2.010300       1.619600    
 C   -4.807600       1.306900     -0.6211000    
 C   -2.463900      -3.408400       1.727200    
 C   -6.155000      0.8893000      -1.170500    
 H    1.586700      -3.125300      -1.172300    
 H    2.104600       3.407300      0.6494000    
 H    5.309200      -1.559900      0.2231000    
 H    5.497900      0.8223000      0.8877000    
 H    3.962700      -3.434800     -0.6213000    
 H    4.475500       3.037700       1.184400    
 H   -3.045900      -1.534700       2.604700    
 H   -4.058200      -2.052600       1.235900    
 H   -4.954500       1.977000      0.2304000    
 H   -4.229000       1.829400      -1.389100    
 H   -3.062700      -4.024400       2.403900    
 H   -2.434400      -3.889000      0.7438000    
 H   -1.433300      -3.376500       2.096000    
 H   -6.729300       1.759400      -1.500600    
 H   -6.030900      0.2059000      -2.017000    
 H   -6.731800      0.3524000     -0.4103000    


%chk=000017579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017579

0 1
S -1.913528 0.116482 2.423365
P -2.892997 -0.498513 0.714591
O -1.740520 -0.691305 -0.750792
O -3.736116 -1.981308 0.651839
O -4.147512 0.431124 0.024906
O -0.067051 -2.618004 0.157538
O -0.842992 1.854284 -0.992200
N -0.387969 -0.388329 -0.487160
C 2.356433 0.166586 -0.181507
C 1.877354 -1.161112 0.063391
C 1.462580 1.224890 -0.546821
C 3.766919 0.445416 -0.050541
C 0.432252 -1.483062 -0.065088
C 0.006000 0.971894 -0.696082
C 2.770295 -2.181403 0.426619
C 1.952600 2.520519 -0.773334
C 4.652518 -0.619215 0.318632
C 4.235547 1.778034 -0.292277
C 4.161983 -1.909008 0.553275
C 3.343416 2.796906 -0.646230
C -3.112513 -3.193161 1.292845
C -3.990306 1.927917 -0.028086
C -4.090922 -4.330851 1.026936
C -5.260998 2.439596 -0.695677
H 2.370436 -3.184366 0.607655
H 1.241824 3.306382 -1.048546
H 5.723774 -0.408074 0.416065
H 5.306755 1.989202 -0.194402
H 4.846273 -2.715252 0.835270
H 3.710985 3.811756 -0.827278
H -2.122645 -3.361281 0.835237
H -2.993723 -2.987713 2.373434
H -3.884547 2.301082 1.008221
H -3.077804 2.162941 -0.601939
H -3.705109 -5.260748 1.484656
H -5.080909 -4.110476 1.461061
H -4.209800 -4.497897 -0.056580
H -5.220554 3.542844 -0.761726
H -5.357871 2.032014 -1.715765
H -6.155058 2.155411 -0.115203


