%chk=000178800.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178800

0 1
 S    4.307600     -0.1839000     -0.9392000    
 O    3.777300      0.9696000       1.372400    
 N    2.566100       1.675200     -0.4875000    
 C  -0.4351000       1.498500     -0.4449000    
 C   -1.738600      0.9198000      0.1157000    
 C   0.4305000       2.094200      0.6703000    
 C   -2.625900      0.2867000     -0.9622000    
 C    1.743200       2.668200      0.1467000    
 C   -3.908100     -0.3000000     -0.4278000    
 C   -3.946400      -1.631600     -1.3900000E-02
 C   -5.055800      0.4887000     -0.3469000    
 C    3.507600      0.9160000      0.1796000    
 C   -5.132400      -2.174500      0.4806000    
 C   -6.241700     -5.4200001E-02  0.1478000    
 C   -6.279900      -1.385800      0.5616000    
 C    5.450200      -1.021500      0.1808000    
 C    6.305200      -2.027100     -0.5821000    
 C    7.276300      -2.738200      0.3490000    
 H  -0.6657000       2.272400      -1.186800    
 H   0.1115000      0.7029000     -0.9642000    
 H   -1.501600      0.1663000      0.8778000    
 H   -2.297300       1.713800      0.6276000    
 H  -0.1264000       2.889900       1.179500    
 H   0.6425000       1.319900       1.418100    
 H   -2.064400     -0.4972000      -1.487200    
 H   -2.865000       1.036200      -1.728100    
 H    2.302800       3.116100      0.9752000    
 H    1.549800       3.453100     -0.5922000    
 H    2.448300       1.519300      -1.484100    
 H   -3.058300      -2.255400     -7.0100002E-02
 H   -5.037900       1.527900     -0.6642000    
 H   -5.162100      -3.211000      0.8034000    
 H   -7.135200      0.5599000      0.2114000    
 H    4.876700      -1.532300      0.9617000    
 H    6.092600     -0.2759000      0.6616000    
 H   -7.203200      -1.808400      0.9470000    
 H    6.878900      -1.522500      -1.369000    
 H    5.670400      -2.778100      -1.068000    
 H    7.953500      -2.024600      0.8292000    
 H    6.740500      -3.284700       1.131900    
 H    7.882200      -3.456400     -0.2123000    


%chk=000178800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178800

0 1
S 4.174799 -1.061380 -1.384662
O 3.831391 0.225708 1.059467
N 2.626020 1.075906 -0.754852
C -0.468015 1.212582 -0.490241
C -1.826717 0.782106 0.105384
C 0.554332 1.631928 0.588291
C -2.840843 0.324726 -0.980202
C 1.907282 2.114078 0.013727
C -4.179518 -0.095436 -0.390908
C -4.399394 -1.431823 0.033345
C -5.224499 0.847918 -0.211892
C 3.504103 0.203642 -0.154963
C -5.626033 -1.816118 0.620594
C -6.453401 0.469711 0.374984
C -6.658612 -0.865300 0.794276
C 5.448203 -1.871929 -0.242068
C 6.818490 -1.176819 -0.285808
C 7.835458 -1.884663 0.639533
H -0.629342 2.055367 -1.196590
H -0.053482 0.373237 -1.086060
H -1.671494 -0.044952 0.827029
H -2.266285 1.620459 0.682509
H 0.131628 2.455429 1.199465
H 0.743318 0.787930 1.279372
H -2.393133 -0.516213 -1.546043
H -2.986634 1.154536 -1.700205
H 2.570824 2.429685 0.837518
H 1.752538 2.982474 -0.654817
H 2.434827 0.970204 -1.752527
H -3.604684 -2.176410 -0.103328
H -5.074667 1.884336 -0.540614
H -5.778490 -2.854210 0.937790
H -7.250395 1.211754 0.500749
H 5.501116 -2.923931 -0.571369
H 5.009118 -1.821121 0.769726
H -7.611880 -1.161732 1.246266
H 6.693845 -0.123991 0.028394
H 7.198868 -1.162580 -1.324954
H 7.484401 -1.886963 1.688130
H 7.995913 -2.935372 0.332085
H 8.813746 -1.371474 0.611671


