%chk=000034526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034526

0 1
 S    2.495000       1.146800       2.026200    
 P    2.688700      0.2464000      0.3070000    
 O    1.794700      -1.085200      6.9899999E-02
 O    2.292600       1.126000      -1.005100    
 O    4.177300     -0.2666000     -0.1032000    
 N   -2.318600       1.116700      7.0400000E-02
 N   -2.291200      -1.209800     -0.2333000    
 N  -0.2429000      2.2600001E-02  7.2099999E-02
 C   -3.763400       1.099700     -3.3000000E-02
 C   -1.639800       2.376100      0.2976000    
 C   -1.581200     -8.2599998E-02 -3.5399999E-02
 C   -4.382500      0.8864000       1.335000    
 C   -1.263200       3.012700      -1.026400    
 C   -1.555400      -2.336700     -0.3294000    
 C   0.4309000      -1.142000     -3.3399999E-02
 C  -0.1790000      -2.363800     -0.2361000    
 C   -2.302600      -3.609300     -0.5478000    
 C    2.870300       2.406500      -1.197000    
 C    4.770200      -1.343800      0.6021000    
 H   -4.118800       2.058600     -0.4308000    
 H   -4.121700      0.3426000     -0.7406000    
 H   -2.301700       3.064000      0.8386000    
 H  -0.7563000       2.263600      0.9364000    
 H   -4.086100     -7.6800004E-02   1.762900    
 H   -4.078600       1.670300       2.036700    
 H   -5.474600      0.9020000       1.263100    
 H  -0.5748000       2.378500      -1.594500    
 H   -2.146500       3.187500      -1.649600    
 H  -0.7719000       3.976000     -0.8574000    
 H   0.3901000      -3.281600     -0.3162000    
 H   -2.117400      -4.305800      0.2761000    
 H   -3.381200      -3.427900     -0.6003000    
 H   -1.992800      -4.076300      -1.488100    
 H    2.739000       2.694100      -2.243100    
 H    3.938800       2.384500     -0.9667000    
 H    2.363900       3.139100     -0.5638000    
 H    4.879300      -1.088700       1.658900    
 H    5.759700      -1.534900      0.1795000    
 H    4.160000      -2.244300      0.4966000    


%chk=000034526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034526

0 1
S 2.535530 1.277830 1.925423
P 2.891470 0.194909 0.206686
O 1.939190 -1.285595 -0.097904
O 2.965515 0.992932 -1.308600
O 4.414470 -0.583283 0.064452
N -2.104859 1.151981 -0.064817
N -2.202183 -1.186120 -0.337194
N -0.053907 -0.034166 -0.167411
C -3.586644 1.176473 -0.061617
C -1.391307 2.410530 0.244081
C -1.439961 -0.047681 -0.194555
C -4.185405 0.893943 1.333414
C -1.378246 3.402368 -0.939967
C -1.544834 -2.382096 -0.407526
C 0.549195 -1.238047 -0.185571
C -0.135561 -2.469000 -0.302774
C -2.405290 -3.610953 -0.589225
C 2.234718 2.267580 -1.485018
C 4.842739 -1.465754 1.174281
H -3.902858 2.172499 -0.422697
H -3.945432 0.418566 -0.776293
H -1.884639 2.881053 1.118046
H -0.363650 2.151184 0.544147
H -3.916151 -0.124881 1.659463
H -3.818047 1.615119 2.086358
H -5.288016 0.968221 1.298449
H -0.899832 2.951420 -1.826949
H -2.400012 3.710147 -1.227645
H -0.817541 4.314470 -0.663811
H 0.401082 -3.417015 -0.323836
H -1.801516 -4.532832 -0.598610
H -3.152287 -3.677188 0.221566
H -2.966676 -3.542384 -1.538475
H 2.620472 2.667460 -2.434184
H 2.449814 2.963509 -0.653712
H 1.153059 2.068736 -1.546821
H 4.797382 -0.930214 2.140612
H 5.882783 -1.725378 0.929533
H 4.215734 -2.373742 1.206601


