%chk=000089131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089131

0 1
 S   -2.143600     -0.6455000      -1.060100    
 P    3.139100      0.4659000     -0.6416000    
 P   -3.785800     -0.6939000      0.2450000    
 O    4.094800       1.036600      0.5454000    
 O    3.496900      -1.121600     -0.6470000    
 O   -4.198800      0.8077000      0.7117000    
 O    3.455900       1.103000      -1.971000    
 O   -5.097200      -1.188600     -0.5792000    
 O   -3.489200      -1.580400       1.427100    
 N    1.582400      0.6344000     -9.7599998E-02
 C   0.4941000      0.1044000     -0.9038000    
 C  -0.7751000      1.6000001E-02 -6.5700002E-02
 C    5.500000       1.019400      0.3589000    
 C    3.450900      -1.872600      0.5548000    
 C    6.167800       1.595900       1.589200    
 C    3.827200      -3.307700      0.2541000    
 C   -4.515400       1.790600     -0.2588000    
 C   -4.860600       3.085500      0.4454000    
 C   -6.343600      -1.248900      9.3199998E-02
 H   0.3456000      0.7506000      -1.776500    
 H   0.7659000     -0.8932000      -1.268400    
 H    1.321800       1.557600      0.2483000    
 H  -0.6255000     -0.6407000      0.7979000    
 H   -1.067400       1.003800      0.3062000    
 H    5.839200     -6.8999999E-03  0.1904000    
 H    5.753200       1.620600     -0.5198000    
 H    4.146900      -1.452100       1.286000    
 H    2.439400      -1.832100      0.9702000    
 H   -3.654900       1.949300     -0.9148000    
 H   -5.361500       1.455300     -0.8651000    
 H    5.907900       1.011000       2.477800    
 H    5.824800       2.619800       1.770500    
 H    7.255500       1.602500       1.476600    
 H    3.798100      -3.917800       1.161200    
 H    3.143100      -3.739000     -0.4842000    
 H    4.833300      -3.360300     -0.1751000    
 H   -5.107400       3.869200     -0.2763000    
 H   -5.713200       2.942700       1.117600    
 H   -4.021800       3.424500       1.062400    
 H   -6.270300      -1.918200      0.9543000    
 H   -7.094500      -1.640100     -0.5977000    
 H   -6.649600     -0.2533000      0.4227000    


%chk=000089131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089131

0 1
S -1.927592 2.037301 -1.027659
P 3.144892 -0.319021 -0.704547
P -2.750484 0.116407 -0.074309
O 4.466126 0.423520 0.154552
O 2.380480 -1.465713 0.336305
O -4.169190 0.556901 0.818181
O 3.529300 -1.013002 -2.080732
O -3.359900 -0.681130 -1.492396
O -1.730755 -0.708743 0.826029
N 2.116873 1.073556 -0.667880
C 0.745260 1.058311 -1.208203
C -0.179007 1.868147 -0.281152
C 5.834274 -0.130837 -0.068221
C 2.096709 -1.106835 1.761788
C 6.808968 0.879741 0.529511
C 0.990511 -2.044453 2.236660
C -5.174237 1.465257 0.185267
C -6.284854 1.644955 1.215339
C -3.570689 -2.152213 -1.423976
H 0.701653 1.462774 -2.239055
H 0.396642 0.010919 -1.249154
H 2.599333 1.973870 -0.614186
H -0.263190 1.392462 0.709342
H 0.162472 2.911194 -0.162251
H 5.907422 -1.114148 0.434362
H 5.993155 -0.275348 -1.153271
H 3.033764 -1.240039 2.334437
H 1.787587 -0.044958 1.818796
H -4.678625 2.425912 -0.056208
H -5.544429 0.999497 -0.747482
H 6.606801 1.029617 1.603876
H 6.724810 1.853804 0.018068
H 7.846181 0.513295 0.416509
H 0.807094 -1.884349 3.316378
H 0.052178 -1.848361 1.692331
H 1.288025 -3.096739 2.087364
H -7.062807 2.318544 0.810562
H -6.752534 0.676521 1.459928
H -5.886616 2.086196 2.144236
H -2.633500 -2.665079 -1.147533
H -3.874155 -2.429799 -2.443896
H -4.369544 -2.404534 -0.703513


