%chk=000178637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178637

0 1
 S    2.225400      0.4151000      0.4834000    
 P  -0.4907000      8.5800000E-02  0.8080000    
 O   0.7196000      0.8509000      2.7000001E-02
 O  -0.3943000      0.2666000       2.303600    
 O    2.492500     -0.9480000      7.2499998E-02
 O    2.473700      0.8734000       1.835200    
 N   -1.868100      0.7300000      0.1377000    
 N  -0.4567000      -1.484300      0.2853000    
 C   -3.134600      8.4299996E-02  0.5086000    
 C   -1.991500       2.193200      0.1865000    
 C  -0.4083000      -1.738500      -1.151800    
 C   0.3639000      -2.433600       1.049100    
 C   -4.296600      0.5352000     -0.3742000    
 C   -3.118000       2.711900     -0.7048000    
 C  -0.9500000      -3.129500      -1.490400    
 C   0.6860000      -3.742000      0.3205000    
 C   -4.446000       2.050600     -0.3612000    
 C  -0.4990000      -4.211700     -0.5084000    
 C    3.091800       1.496300     -0.6246000    
 C    2.696800       2.943000     -0.3148000    
 C    4.598100       1.308300     -0.4232000    
 C    2.706100       1.143000      -2.063800    
 H   -3.361000      0.2895000       1.562400    
 H   -3.049700      -1.003300      0.4123000    
 H   -1.058500       2.656700     -0.1522000    
 H   -2.148900       2.519300       1.222200    
 H   0.6120000      -1.628300      -1.535400    
 H   -1.011900      -1.006300      -1.699600    
 H  -0.2589000      -2.707500       1.912500    
 H    1.254400      -2.017600       1.517400    
 H   -5.226600      6.9399998E-02 -2.9200001E-02
 H   -4.129300      0.1924000      -1.403300    
 H   -2.873000       2.515300      -1.756300    
 H   -3.206800       3.798600     -0.5953000    
 H  -0.6264000      -3.395500      -2.503900    
 H   -2.046800      -3.108700      -1.512400    
 H   0.9596000      -4.513300       1.049400    
 H    1.554400      -3.599500     -0.3341000    
 H   -5.217000       2.359700      -1.075400    
 H   -4.774400       2.379400      0.6323000    
 H   -1.331800      -4.460600      0.1615000    
 H  -0.2492000      -5.131100      -1.049800    
 H    2.937400       3.218500      0.7180000    
 H    3.233400       3.639300     -0.9698000    
 H    1.626800       3.123700     -0.4625000    
 H    4.904500      0.2759000     -0.6261000    
 H    4.897700       1.541400      0.6048000    
 H    5.169900       1.961600      -1.091700    
 H    1.635900       1.278700      -2.253500    
 H    3.242600       1.780500      -2.776200    
 H    2.953400      0.1038000      -2.307700    


%chk=000178637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178637

0 1
S 2.602095 0.631910 0.627019
P -0.442950 -0.183090 1.276598
O 0.767716 0.956451 0.541113
O -0.285097 -0.305009 2.858177
O 2.865193 -0.897836 0.137825
O 3.223940 1.112558 2.037834
N -1.819248 0.592312 0.540763
N -0.342277 -1.702475 0.469692
C -3.109926 -0.142551 0.458420
C -1.973895 2.068046 0.617291
C -0.283660 -1.792232 -1.009262
C 0.298627 -2.841592 1.197344
C -3.884427 0.312460 -0.796875
C -2.720522 2.571969 -0.637070
C -1.162419 -2.979913 -1.494039
C 0.116788 -4.144949 0.373268
C -4.078400 1.847432 -0.798588
C -1.204468 -4.111527 -0.425905
C 3.134571 1.962037 -0.848255
C 2.659885 3.315823 -0.321147
C 4.659722 1.805312 -0.887913
C 2.416468 1.457921 -2.098554
H -3.722603 0.060137 1.366528
H -2.901669 -1.225594 0.424800
H -0.974348 2.525871 0.692276
H -2.549874 2.345618 1.528867
H 0.773284 -1.928766 -1.319575
H -0.634461 -0.837410 -1.438269
H -0.188028 -2.924941 2.184838
H 1.376730 -2.640507 1.360049
H -4.864534 -0.202339 -0.825897
H -3.317904 0.006214 -1.698348
H -2.088429 2.383199 -1.526819
H -2.872648 3.665957 -0.556666
H -0.741742 -3.364345 -2.443952
H -2.190556 -2.633023 -1.711785
H 0.140541 -5.007226 1.064685
H 0.965769 -4.273990 -0.325504
H -4.581768 2.171820 -1.728854
H -4.744354 2.130898 0.042942
H -2.041026 -3.932472 0.276739
H -1.394693 -5.087563 -0.910139
H 3.099369 3.540765 0.666028
H 2.990705 4.099246 -1.030902
H 1.561678 3.355292 -0.240666
H 4.959008 0.776321 -1.152362
H 5.121661 2.076519 0.076932
H 5.056678 2.488656 -1.663288
H 1.321810 1.509282 -1.981303
H 2.710849 2.101525 -2.950640
H 2.704738 0.419801 -2.338848


