%chk=000163136.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163136

0 1
 S   -3.002000       1.224000       1.245200    
 S  -0.5939000       2.736000       2.285600    
 P    1.153100      0.4789000      0.5555000    
 O    1.755400       1.101200       1.795600    
 N    1.568600      -1.135400      0.3508000    
 N    1.537000       1.275400     -0.8703000    
 N  -0.5543000      0.5246000      0.6464000    
 C    1.159500      -2.071200       1.403000    
 C    2.961400      -1.420300     -1.2000000E-02
 C    1.018500      0.7468000      -2.134900    
 C    1.409000       2.734700     -0.8730000    
 C   -1.398400     -0.4024000     -1.1200000E-02
 C   -1.248900       1.491700       1.385700    
 C   -2.756100     -0.1780000      0.2001000    
 C    2.033800      -1.926000       2.637000    
 C    3.115300      -2.842200     -0.5245000    
 C    1.789000       1.304000      -3.319800    
 C  -4.2399999E-02   3.158100      -1.022800    
 C  -0.9670000      -1.456600     -0.8052000    
 C   -3.717100     -0.9960000     -0.3722000    
 C   -1.927100      -2.288000      -1.387000    
 C   -3.293400      -2.059100      -1.172100    
 H   0.1307000      -1.866100       1.715300    
 H    1.137100      -3.109800       1.057600    
 H    3.246800     -0.7629000     -0.8410000    
 H    3.676300      -1.193100      0.7852000    
 H    1.202100     -0.3288000      -2.171600    
 H  -5.5900000E-02  0.8934000      -2.275700    
 H    1.798000       3.116200      7.7900000E-02
 H    2.042100       3.213800      -1.627400    
 H    3.052400      -2.295500       2.489500    
 H    2.078800     -0.9084000       3.026400    
 H    1.608300      -2.540000       3.440300    
 H    3.093600      -3.586200      0.2772000    
 H    2.347100      -3.093100      -1.264000    
 H    4.087000      -2.947000      -1.020400    
 H    1.521900       2.339800      -3.548300    
 H    2.871800       1.242900      -3.164400    
 H    1.557000      0.7170000      -4.215900    
 H  -0.2076000       3.459300      -2.066100    
 H  -0.8100000       2.418100     -0.8362000    
 H  -0.2450000       4.054700     -0.4290000    
 H   4.0500000E-02  -1.683800      -1.093900    
 H   -4.776100     -0.8236000     -0.2104000    
 H   -1.615400      -3.110800      -2.025100    
 H   -4.027600      -2.712600      -1.635100    


%chk=000163136-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163136

0 1
S -3.590444 0.773031 0.924638
S -1.423202 2.916957 1.403376
P 0.873007 0.611070 0.666831
O 1.273944 1.302359 2.046380
N 1.487894 -1.019816 0.462471
N 1.313287 1.481082 -0.760229
N -0.998544 0.310678 0.492451
C 1.200166 -1.954373 1.597589
C 2.797092 -1.210163 -0.226521
C 0.711787 1.135678 -2.073218
C 2.006197 2.792333 -0.603505
C -1.675292 -0.853489 -0.004723
C -1.831439 1.352197 0.933576
C -3.088684 -0.791626 0.172579
C 2.136445 -1.812359 2.818560
C 2.785120 -2.410925 -1.193723
C 1.746172 1.101039 -3.216183
C 1.202517 4.005973 -1.111510
C -1.122673 -1.977701 -0.664554
C -3.940195 -1.830474 -0.245292
C -1.975409 -3.018457 -1.090714
C -3.373390 -2.958790 -0.878776
H 0.155315 -1.788548 1.918286
H 1.238786 -2.984465 1.194504
H 3.023201 -0.284936 -0.784660
H 3.604372 -1.339507 0.522610
H 0.229616 0.145207 -1.986740
H -0.092394 1.858693 -2.319226
H 2.213632 2.916163 0.474661
H 2.982628 2.737098 -1.126775
H 3.186183 -2.048873 2.568218
H 2.090154 -0.784697 3.216866
H 1.817884 -2.515332 3.610368
H 2.537446 -3.354614 -0.675090
H 2.053067 -2.260084 -2.007606
H 3.784984 -2.535686 -1.649557
H 2.232976 2.082602 -3.352583
H 2.533187 0.350103 -3.025191
H 1.242604 0.841980 -4.165515
H 1.009657 3.958290 -2.198919
H 0.238583 4.081965 -0.580216
H 1.780953 4.927807 -0.916518
H -0.044412 -2.032329 -0.819654
H -5.021574 -1.758293 -0.092139
H -1.538163 -3.885587 -1.597409
H -4.019141 -3.777483 -1.212419


