%chk=000001131.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001131

1 1
 S   -1.333600      -2.677600       1.689400    
 P   -3.200700       2.138000     -0.1715000    
 O   -2.851400      0.5833000     -0.4581000    
 O   -3.188200       2.243000       1.442200    
 O   -4.773100       2.228400     -0.5379000    
 O   -2.325600       3.126200     -0.8856000    
 N   0.5419000      -2.141100      0.1151000    
 N    3.547300       1.383100     -0.6756000    
 N    2.721200       1.077100       1.567500    
 N    3.241600     -0.3142000      -2.303400    
 C  -0.5968000      -1.797800     -0.5790000    
 C   -1.707300      -2.036500      0.1561000    
 C    1.875000      -1.996400     -0.4191000    
 C   -3.154000      -1.809000     -0.2128000    
 C   0.3363000      -2.619900       1.323100    
 C    2.412900     -0.6346000     -7.4600004E-02
 C  -0.4493000      -1.255800      -1.937800    
 C   -3.632100     -0.4133000      0.1789000    
 C    3.063600      0.1610000     -0.9807000    
 C    2.262900     -0.1356000       1.193600    
 C    3.344200       1.772900      0.5974000    
 C    3.865100       3.118800      0.9727000    
 H    1.869100      -2.223000      -1.487200    
 H    2.533900      -2.751600      3.1099999E-02
 H   -3.794600      -2.563200      0.2599000    
 H   -3.265700      -1.940100      -1.296100    
 H    1.115400      -2.952200       1.995700    
 H   -1.418100     -0.9808000      -2.366900    
 H   0.1602000     -0.3482000      -1.945400    
 H  -8.2000000E-03  -1.993300      -2.615400    
 H   -3.567700     -0.2832000       1.264400    
 H   -4.679300     -0.2980000     -0.1186000    
 H    1.795500     -0.6747000       2.005600    
 H    3.702000      0.3252000      -2.941000    
 H    3.437800      -1.298500      -2.436400    
 H    4.254000       3.109700       1.995800    
 H    4.675700       3.426100      0.3045000    
 H    3.060500       3.857100      0.9088000    
 H   -3.308400       3.121500       1.861600    
 H   -5.211700       3.105700     -0.5333000    


%chk=000001131-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001131

1 1
S -1.612429 -3.213251 1.488215
P -1.860955 2.131725 0.062412
O -2.312947 0.518041 -0.405724
O -1.092512 2.031682 1.552624
O -3.433019 2.704602 0.430802
O -1.015379 2.783444 -1.112960
N 0.413496 -2.529308 0.036743
N 3.117309 1.465162 -0.512333
N 1.271815 1.391245 1.016527
N 4.037605 -0.444713 -1.456000
C -0.699117 -2.001691 -0.685765
C -1.897173 -2.247400 -0.026662
C 1.825922 -2.155352 -0.294330
C -3.259769 -1.684201 -0.312834
C 0.105265 -3.189725 1.174223
C 2.060504 -0.680670 0.014116
C -0.502579 -1.306885 -2.000900
C -3.386356 -0.242248 0.250222
C 3.077370 0.098246 -0.644510
C 1.220319 0.035864 0.876170
C 2.200694 2.086893 0.267148
C 2.138791 3.582820 0.284792
H 1.985161 -2.353846 -1.370631
H 2.487974 -2.832401 0.276147
H -4.060660 -2.311540 0.118129
H -3.426300 -1.648169 -1.403919
H 0.842617 -3.642127 1.833069
H -1.475107 -1.023557 -2.424565
H 0.062109 -0.365654 -1.888820
H 0.020058 -1.961177 -2.723607
H -3.267784 -0.223093 1.351349
H -4.367827 0.185500 -0.016062
H 0.424635 -0.451021 1.448617
H 4.689879 0.202821 -1.902028
H 4.200927 -1.444134 -1.549674
H 2.012379 3.965732 1.311371
H 3.042943 4.010203 -0.169996
H 1.254334 3.904199 -0.301250
H 0.021584 1.890171 1.454085
H -3.493475 3.602311 0.842813


