%chk=000133913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133913

0 1
 S  -0.9110000      -1.495000      -1.393800    
 P   -2.035700     -0.6610000      0.1789000    
 O   -3.620800     -0.7548000     -0.1736000    
 O   -1.785200      0.9436000      0.2633000    
 O   -1.699500      -1.337300       1.483500    
 N   0.9711000      0.1997000     -0.5339000    
 N    3.151300     -0.4458000      0.2644000    
 C    2.534700       1.887800      0.1984000    
 C    2.197300      0.4550000     -3.9099999E-02
 C    3.721600       2.363800     -0.6608000    
 C    2.811100       2.189900       1.683500    
 C   0.6988000      -1.106300     -0.7369000    
 C    2.812800      -1.732000      3.7300002E-02
 C    1.590100      -2.125300     -0.4669000    
 C    3.842500      -2.762300      0.3583000    
 C   -4.555100     -0.1857000      0.7271000    
 C   -2.043200       1.762600     -0.8643000    
 C   -5.953200     -0.3977000      0.1865000    
 C   -1.727500       3.200600     -0.5119000    
 H    1.668800       2.496200     -9.3800001E-02
 H    4.644000       1.832600     -0.4007000    
 H    3.896400       3.435600     -0.5200000    
 H    3.524300       2.189500      -1.724300    
 H    1.958800       1.891300       2.304100    
 H    2.981900       3.260900       1.835600    
 H    3.693400       1.650700       2.045500    
 H    1.353300      -3.169100     -0.6368000    
 H    4.754200      -2.298900      0.7495000    
 H    3.464400      -3.455400       1.116600    
 H    4.109900      -3.326600     -0.5408000    
 H   -4.452300     -0.6693000       1.703400    
 H   -4.357900      0.8838000      0.8438000    
 H   -1.418800       1.446100      -1.704100    
 H   -3.093200       1.670700      -1.156700    
 H   -6.701800      2.5900001E-02  0.8619000    
 H   -6.060300      7.0000000E-02 -0.7978000    
 H   -6.158600      -1.465300      5.5900000E-02
 H   -1.909900       3.861000      -1.364200    
 H   -2.342300       3.533700      0.3308000    
 H  -0.6826000       3.303100     -0.2026000    


%chk=000133913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133913

0 1
S -1.165265 -1.594842 -0.651191
P -1.983484 0.220198 0.617212
O -3.614639 -0.241537 0.191906
O -1.761642 1.698466 -0.248601
O -1.732712 0.365407 2.175052
N 0.845651 -0.010424 0.245232
N 3.212975 -0.483605 0.137301
C 2.437448 1.620330 1.196371
C 2.155270 0.308575 0.485463
C 3.353427 2.525115 0.332900
C 3.073358 1.342306 2.584668
C 0.585879 -1.196260 -0.369810
C 2.945021 -1.676086 -0.487656
C 1.614920 -2.081379 -0.764625
C 4.134441 -2.530999 -0.852053
C -4.703400 0.015444 1.183569
C -1.941849 1.722948 -1.728629
C -5.974098 -0.557284 0.563149
C -1.791998 3.184561 -2.141627
H 1.459087 2.112820 1.340747
H 4.316168 2.020733 0.138369
H 3.552063 3.474961 0.861696
H 2.883604 2.765463 -0.638501
H 2.398805 0.739977 3.218880
H 3.273167 2.296421 3.105265
H 4.027038 0.797951 2.466199
H 1.402469 -3.036021 -1.250993
H 4.814236 -1.970231 -1.518102
H 4.712865 -2.778941 0.055905
H 3.832527 -3.466260 -1.351014
H -4.445705 -0.480214 2.137324
H -4.786793 1.104895 1.360925
H -1.164117 1.086201 -2.191275
H -2.940130 1.317802 -1.980064
H -6.827130 -0.406299 1.250678
H -6.202968 -0.058477 -0.393987
H -5.861117 -1.638601 0.376600
H -1.898122 3.274416 -3.238800
H -2.563676 3.809709 -1.661814
H -0.799774 3.569060 -1.851370


