%chk=000077798.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077798

0 1
 S   0.4587000      0.1409000       2.057700    
 P   0.1770000     -0.1592000      0.1474000    
 O  -0.9724000      0.7397000     -0.5728000    
 O  -0.2675000      -1.654100     -0.3008000    
 O    1.446400      9.9399999E-02 -0.8297000    
 O   -1.738300       7.087600       1.784800    
 O   -6.727700      -3.752600     -0.8505000    
 O    7.563400      -1.414100       1.765000    
 N   -1.467400       6.264200     -0.4058000    
 N   -5.100300      -4.146200      0.8068000    
 N    6.542600      -2.024100     -0.2687000    
 C   -1.093900       2.094700     -0.5327000    
 C   -1.458900      -2.268900     -2.6799999E-02
 C    2.703200     -0.4247000     -0.6922000    
 C   -2.354600       2.685100     -0.6203000    
 C   -2.430300      -1.595800      0.7073000    
 C    3.803800      0.2922000      -1.150600    
 C   4.2399999E-02   2.893000     -0.4028000    
 C   -1.689800      -3.561700     -0.4859000    
 C    2.869900      -1.669400     -9.3999997E-02
 C   -2.479000       4.073800     -0.5780000    
 C   -3.645300      -2.222100      0.9854000    
 C    5.084900     -0.2414000      -1.009100    
 C  -8.1900001E-02   4.281700     -0.3603000    
 C   -2.904700      -4.188000     -0.2080000    
 C    4.150900      -2.203000      4.7600001E-02
 C   -1.342600       4.872000     -0.4480000    
 C   -3.882400      -3.518200      0.5278000    
 C    5.258300      -1.489100     -0.4101000    
 C   -1.603000       6.676100      0.6908000    
 C   -5.914700      -3.949000     -2.3000000E-02
 C    7.053300      -1.718600      0.7494000    
 H   -3.243100       2.067700     -0.7211000    
 H   -2.301300     -0.5886000       1.081800    
 H    3.672700       1.264400      -1.617300    
 H    1.039400       2.472700     -0.3398000    
 H  -0.9307000      -4.086900      -1.058700    
 H    2.034300      -2.257700      0.2662000    
 H   -3.466500       4.522500     -0.6492000    
 H   -4.399700      -1.691200       1.560500    
 H    5.940200      0.3233000      -1.371400    
 H   0.8110000       4.894100     -0.2626000    
 H   -3.077400      -5.199100     -0.5678000    
 H    4.273900      -3.178000      0.5125000    


%chk=000077798-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077798

0 1
S 0.241633 0.127727 2.100218
P 0.104572 -0.041800 0.072483
O -0.956797 1.017826 -0.813431
O -0.414332 -1.537746 -0.640146
O 1.540411 0.177097 -0.888612
O -1.875418 8.911017 0.449454
O -7.114650 -5.738696 0.859692
O 8.770649 -3.005067 0.654349
N -1.579388 6.528241 0.082471
N -5.100618 -4.451827 0.423424
N 6.578126 -2.059447 0.208193
C -1.062569 2.408265 -0.531152
C -1.623979 -2.210663 -0.311879
C 2.786179 -0.425158 -0.552468
C -2.361000 2.958058 -0.577857
C -2.687054 -1.623258 0.407463
C 3.937910 0.353186 -0.793597
C 0.067118 3.217572 -0.281814
C -1.709935 -3.537521 -0.786205
C 2.885373 -1.745281 -0.061375
C -2.534066 4.340638 -0.381117
C -3.849896 -2.379034 0.655289
C 5.209508 -0.197185 -0.548421
C -0.108854 4.598151 -0.070949
C -2.875410 -4.286309 -0.545195
C 4.157647 -2.289525 0.197017
C -1.409152 5.170676 -0.119756
C -3.955875 -3.713560 0.181119
C 5.329085 -1.521520 -0.044214
C -1.728615 7.712596 0.264288
C -6.101809 -5.094447 0.630618
C 7.668401 -2.527918 0.431517
H -3.214978 2.304910 -0.778937
H -2.621890 -0.594442 0.773192
H 3.829871 1.371237 -1.178378
H 1.070149 2.780106 -0.266491
H -0.871177 -3.962705 -1.344380
H 1.985421 -2.345052 0.105471
H -3.533360 4.784284 -0.421968
H -4.680909 -1.939592 1.215247
H 6.112306 0.391560 -0.736817
H 0.754162 5.240840 0.127374
H -2.956901 -5.313605 -0.912811
H 4.253011 -3.309232 0.582089


