%chk=000152299.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152299

1 1
 S    4.269500       1.522100     -0.7375000    
 P   -1.628800      -2.414700     -0.7386000    
 P   -2.585600      -1.226700       1.776700    
 O    2.470400      -2.287400     -0.2677000    
 O  -0.1098000      -2.725900      -1.201600    
 O   -1.475100      -1.686000      0.6964000    
 O   -2.238500      -3.863400     -0.3554000    
 O   -2.444500      -1.643800      -1.735700    
 O   -1.722600     -0.4185000       2.878600    
 O   -3.393100     -6.1900001E-02  0.9999000    
 O   -3.432400      -2.341300       2.316600    
 N    2.143900       2.083300      0.4666000    
 N   -2.486200       2.759000     -0.6512000    
 N   -1.034100       1.306600      -1.911900    
 N   -1.656500       3.934800       1.233900    
 C    2.467500      0.8213000      0.9129000    
 C    3.626300      0.3493000      0.3442000    
 C    4.338000     -0.9677000      0.5444000    
 C   0.9758000       2.808700      0.9058000    
 C    2.983600       2.599800     -0.4044000    
 C    3.857900      -2.032900     -0.4376000    
 C    1.576100      0.1758000       1.887900    
 C  -0.1839000       2.496100      3.0000001E-04
 C   -1.443600       3.036700      0.1591000    
 C    2.100900      -3.547200     -0.8151000    
 C  -3.6200002E-02   1.628800      -1.062900    
 C   0.6192000      -3.772000     -0.5831000    
 C   -2.215000       1.899200      -1.651600    
 C   -3.343100       1.567800      -2.568700    
 H    4.158700      -1.309900       1.570900    
 H    5.421200     -0.8326000      0.4407000    
 H    1.189600       3.884900      0.8636000    
 H   0.7380000       2.572900       1.947200    
 H    4.031500      -1.718000      -1.473100    
 H    4.437700      -2.946600     -0.2571000    
 H    2.876100       3.578000     -0.8531000    
 H    1.887700     -0.8521000       2.098600    
 H   0.5506000      0.1188000       1.517000    
 H    1.583800      0.7087000       2.843800    
 H    2.313000      -3.537900      -1.890500    
 H    2.673100      -4.350300     -0.3377000    
 H   0.8838000       1.120700      -1.319500    
 H   0.3033000      -4.729600      -1.007400    
 H   0.4073000      -3.765200      0.4915000    
 H   -2.589200       4.320600       1.319700    
 H   -1.122700       3.813600       2.085000    
 H   -4.108800       1.003800      -2.027700    
 H   -3.792100       2.485600      -2.960500    
 H   -3.003100      0.9647000      -3.416400    
 H   -3.197600      -3.938000     -0.1634000    
 H   -2.169600     -9.8099999E-02   3.690800    
 H   -4.187000      0.3294000       1.422500    


%chk=000152299-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152299

1 1
S 3.235232 1.010343 -1.558577
P -0.961395 -2.628583 0.077295
P -2.381281 -2.577049 2.812576
O 3.201467 -2.412148 0.951156
O 0.653165 -3.029228 -0.177923
O -0.972429 -2.333265 1.857588
O -1.820572 -4.076733 -0.075368
O -1.393534 -1.330538 -0.711622
O -1.840838 -3.089063 4.342549
O -2.764174 -0.960720 3.130247
O -3.419686 -3.528117 2.059837
N 1.022814 1.255617 -0.249138
N -1.728158 4.411987 -2.148424
N -2.750407 2.318422 -2.853485
N -0.194990 4.546246 -0.407980
C 1.889561 0.615864 0.684620
C 3.152885 0.403072 0.155084
C 4.342255 -0.293582 0.756708
C -0.441148 1.549384 0.071829
C 1.565663 1.518261 -1.448712
C 4.398986 -1.793037 0.384700
C 1.402482 0.247661 2.056175
C -1.147430 2.332342 -0.998402
C -1.023826 3.751872 -1.170978
C 2.875475 -3.724194 0.383298
C -2.044131 1.679235 -1.882015
C 1.409968 -3.999060 0.673659
C -2.556884 3.681781 -2.949362
C -3.332843 4.408954 -4.011854
H 4.299099 -0.205726 1.856615
H 5.284391 0.187631 0.435899
H -0.441774 2.055578 1.054882
H -0.921340 0.560277 0.180892
H 4.417106 -1.921207 -0.719287
H 5.319562 -2.245220 0.807991
H 1.016768 1.985238 -2.262232
H 2.170400 -0.340762 2.577533
H 0.496862 -0.383064 2.014059
H 1.173139 1.142897 2.663572
H 3.047000 -3.731399 -0.712919
H 3.495356 -4.521598 0.845789
H -2.195447 0.595377 -1.797271
H 1.127305 -5.024993 0.380443
H 1.174532 -3.814850 1.736629
H -0.217500 5.549070 -0.595191
H 0.310781 4.205381 0.404614
H -4.415329 4.345245 -3.797443
H -3.032853 5.465421 -4.058607
H -3.180071 3.926619 -4.993002
H -2.677041 -4.108282 0.473538
H -1.881178 -4.064787 4.520037
H -3.460599 -0.789272 3.815176


