%chk=000113636.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113636

0 1
 S    3.386200      -1.180700     -0.6380000    
 P   -3.818200      0.4905000      0.4565000    
 O   -5.345600      0.7539000     -4.0000002E-03
 O   -3.543700      0.9683000       1.850100    
 O   -1.693800      -1.390500       1.695700    
 N   -3.524800      -1.175500      0.2368000    
 N    3.667700       1.254500      0.1635000    
 C   -4.320100      -2.070100     -0.5645000    
 C   -3.422500      -3.273600     -0.7568000    
 C   -2.597600      -3.310500      0.5214000    
 C   -2.502900      -1.853900      0.9056000    
 C   -2.831500       1.349800     -0.7567000    
 C   -1.358000       1.092700     -0.6217000    
 C   -5.869300       2.067000     -9.2299998E-02
 C  -0.5881000       1.919800      0.1873000    
 C  -0.7798000      3.0400001E-02  -1.306300    
 C    1.368800      0.6175000     -0.3702000    
 C   0.7804000       1.681300      0.3134000    
 C   0.5887000     -0.2080000      -1.180000    
 C   -7.311900       1.993200     -0.5455000    
 C    2.784100      0.3709000     -0.2409000    
 C    4.979700     -0.6541000     -0.2427000    
 C    4.931300      0.6818000      0.1672000    
 C    6.185900      -1.371200     -0.2922000    
 C    6.134200       1.320300      0.5398000    
 C    7.361900     -0.7160000      8.2000002E-02
 C    7.338700      0.6123000      0.4928000    
 H   -4.590200      -1.593600      -1.510400    
 H   -5.224000      -2.320400     -3.9999999E-04
 H   -2.759200      -3.109600      -1.615300    
 H   -3.980000      -4.197600     -0.9333000    
 H   -1.606100      -3.737900      0.3545000    
 H   -3.114200      -3.853200       1.319000    
 H   -3.012500       2.428600     -0.6866000    
 H   -3.161100       1.060100      -1.762100    
 H   -5.800700       2.548200      0.8880000    
 H   -5.289900       2.648700     -0.8139000    
 H   -1.037400       2.749000      0.7267000    
 H   -1.376800     -0.6139000      -1.945800    
 H    1.366600       2.336200      0.9535000    
 H   0.9871000      -1.035300      -1.759500    
 H   -7.907000       1.401600      0.1579000    
 H   -7.748600       2.992800     -0.6239000    
 H   -7.385200       1.497800      -1.519300    
 H    6.211800      -2.408400     -0.6121000    
 H    6.127500       2.357600      0.8624000    
 H    8.306300      -1.253100      5.0799999E-02
 H    8.263300       1.105500      0.7800000    


%chk=000113636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113636

0 1
S 3.948591 -1.094295 -1.221749
P -3.723346 1.137092 -0.354091
O -5.197849 1.498130 -1.205084
O -3.610982 1.822964 1.087173
O -3.448818 -1.309130 -2.415119
N -3.650600 -0.636273 -0.150559
N 3.738777 0.921671 0.563733
C -3.640821 -1.260214 1.204723
C -4.033676 -2.732442 0.904727
C -3.522446 -2.971044 -0.537106
C -3.541314 -1.578752 -1.186520
C -2.493717 1.604995 -1.696318
C -1.070061 1.244077 -1.335058
C -6.428787 1.776147 -0.411123
C -0.370196 1.961044 -0.326822
C -0.407504 0.185322 -2.007698
C 1.631674 0.586113 -0.695984
C 0.960511 1.639502 -0.010412
C 0.927439 -0.137359 -1.695606
C -7.172635 0.487955 -0.043439
C 3.024543 0.287189 -0.348202
C 5.369745 -0.669265 -0.188585
C 5.045266 0.423707 0.684803
C 6.645091 -1.265988 -0.175748
C 6.023288 0.918201 1.581776
C 7.607816 -0.758998 0.726543
C 7.298883 0.322599 1.596286
H -4.343239 -0.743610 1.878368
H -2.629828 -1.181762 1.646090
H -5.132421 -2.841146 0.938399
H -3.597533 -3.428137 1.639998
H -4.134440 -3.671407 -1.127547
H -2.480247 -3.344082 -0.553704
H -2.630880 2.694359 -1.815043
H -2.842164 1.087206 -2.603513
H -6.153840 2.360457 0.487857
H -7.028126 2.408371 -1.087116
H -0.877654 2.767357 0.214895
H -0.946373 -0.382624 -2.774063
H 1.506024 2.189098 0.762463
H 1.422940 -0.952182 -2.236674
H -6.589662 -0.123849 0.668261
H -8.139134 0.736583 0.434104
H -7.373033 -0.115786 -0.945010
H 6.892272 -2.097710 -0.842185
H 5.767494 1.751420 2.242687
H 8.606365 -1.208305 0.752765
H 8.064108 0.696001 2.284925


