%chk=000178594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178594

0 1
 S   0.2161000       1.238100       1.293900    
 P  -0.8570000      0.3510000     -0.3047000    
 O  -0.5041000       1.080900      -1.584500    
 N   -2.453300      0.4228000      0.1041000    
 N  -0.4788000      -1.254300     -0.3178000    
 C   -3.436900     -0.2405000     -0.7519000    
 C   -3.043100       1.711900      0.4573000    
 C  -0.6405000      -2.032900      0.9101000    
 C   0.7937000      -1.683900     -0.8929000    
 C   -4.796000      0.2467000     -0.2692000    
 C   -4.495100       1.365000      0.7153000    
 C   4.7800001E-02  -3.364800      0.6453000    
 C   0.7795000      -3.183100     -0.6747000    
 C    1.858600       1.043100      0.6306000    
 C    2.194500       1.635300     -0.5870000    
 C    2.809000      0.2982000       1.329000    
 C    3.480400       1.482900      -1.105900    
 C    4.094800      0.1457000      0.8103000    
 C    4.430400      0.7381000     -0.4072000    
 H   -3.362500      -1.330200     -0.6846000    
 H   -3.288900      4.5499999E-02  -1.799900    
 H   -2.952700       2.419500     -0.3754000    
 H   -2.591100       2.159100       1.346500    
 H   -1.697000      -2.181400       1.153900    
 H  -0.1636000      -1.552800       1.770100    
 H    1.657800      -1.274600     -0.3813000    
 H   0.8660000      -1.436600      -1.956100    
 H   -5.364300     -0.5524000      0.2186000    
 H   -5.390700      0.6184000      -1.111000    
 H   -5.159100       2.224100      0.5809000    
 H   -4.621800      0.9972000       1.741100    
 H  -0.6713000      -4.188000      0.5769000    
 H   0.7533000      -3.598500       1.450400    
 H    1.785700      -3.612500     -0.6526000    
 H   0.2196000      -3.678200      -1.477700    
 H    1.501600       2.272100      -1.127000    
 H    2.565000     -0.1724000       2.278300    
 H    3.746200       1.955500      -2.046900    
 H    4.834600     -0.4345000       1.354100    
 H    5.432400      0.6217000     -0.8097000    


%chk=000178594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178594

0 1
S 0.208750 1.143068 1.361049
P -0.879877 0.279970 -0.590921
O -0.341142 0.990871 -1.924129
N -2.512905 0.539498 -0.121238
N -0.702959 -1.447036 -0.611887
C -3.553843 -0.510818 0.049290
C -3.063015 1.919326 0.023548
C -0.703648 -2.253352 0.646648
C 0.188386 -2.065078 -1.652999
C -4.869873 0.293619 -0.068804
C -4.500677 1.670448 0.541412
C 0.505909 -3.201936 0.478213
C 0.537423 -3.448599 -1.051458
C 1.971990 1.062826 0.826144
C 2.403372 1.628409 -0.399311
C 2.907658 0.463461 1.706330
C 3.775214 1.584175 -0.738294
C 4.280095 0.444107 1.366472
C 4.717577 1.000879 0.141820
H -3.479148 -0.992644 1.046661
H -3.451307 -1.295004 -0.720976
H -3.067876 2.438108 -0.955245
H -2.456397 2.518037 0.727627
H -1.648164 -2.826589 0.732199
H -0.608404 -1.591411 1.528108
H 1.094768 -1.449980 -1.810267
H -0.341465 -2.137863 -2.618358
H -5.706316 -0.200118 0.455244
H -5.145451 0.410393 -1.132855
H -5.192708 2.474765 0.239975
H -4.501659 1.609689 1.645169
H 0.395937 -4.131739 1.062095
H 1.431834 -2.691319 0.801551
H 1.515611 -3.812035 -1.408935
H -0.230033 -4.193371 -1.332726
H 1.671026 2.069260 -1.082723
H 2.562513 0.023210 2.648165
H 4.105697 2.014879 -1.690238
H 5.001560 -0.010101 2.055313
H 5.780747 0.981197 -0.122969


