%chk=000122323.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122323

0 1
 S    2.913400       1.122900       1.376200    
 O    5.304500       1.162000      -1.079200    
 O    6.718800     -0.3617000     -0.1715000    
 N    4.684300      -2.207400     -9.5799997E-02
 C   -2.849900       2.704200     -0.5480000    
 C   -1.389600       3.105200     -0.3028000    
 C   -4.648800     -0.3251000       1.273600    
 C   -4.217000      0.6784000      0.2255000    
 C   -3.358300       1.693900      0.4429000    
 C  -0.4226000       1.940200     -0.2891000    
 C   -4.327400      -1.783000      0.9216000    
 C   -4.786900      0.4552000      -1.151600    
 C   0.2929000       1.562700      0.7894000    
 C   -2.855600      -2.037000      0.7463000    
 C  -0.2460000       1.223400      -1.602200    
 C    1.303400      0.4591000      0.8677000    
 C   -2.232400      -2.534600     -0.3385000    
 C    3.850900     -0.4225000       1.366300    
 C    4.341400     -0.7850000     -3.6699999E-02
 C  -0.7428000      -2.750100     -0.3317000    
 C   -2.909800      -2.900700      -1.628200    
 C    5.577600     -9.9999997E-05 -0.4341000    
 H   -3.470600       3.605000     -0.4718000    
 H   -2.941200       2.337200      -1.575700    
 H   -1.077200       3.821700      -1.072800    
 H   -1.328200       3.647800      0.6501000    
 H   -4.185200     -7.9700001E-02   2.238200    
 H   -5.731200     -0.2268000       1.426000    
 H   -2.994600       1.823700       1.461800    
 H   -4.918800      -2.090500      5.6200001E-02
 H   -4.673100      -2.415800       1.749300    
 H   -5.789400      1.7899999E-02  -1.085500    
 H   -4.906300       1.386000      -1.714300    
 H   -4.152900     -0.2230000      -1.728600    
 H   0.1254000       2.109700       1.717000    
 H   -2.252000      -1.806700       1.623500    
 H  -0.4730000       1.896200      -2.437300    
 H   0.7773000      0.8808000      -1.775300    
 H  -0.9301000      0.3716000      -1.665800    
 H   0.9669000     -0.2503000       1.631900    
 H    1.410500     -9.9100001E-02 -6.2500000E-02
 H    3.219900      -1.211500       1.791100    
 H    4.702100     -0.2982000       2.045900    
 H    3.568300     -0.6203000     -0.7959000    
 H  -0.2839000      -2.464800      0.6206000    
 H  -0.2690000      -2.155300      -1.119400    
 H  -0.5122000      -3.805900     -0.5075000    
 H   -2.721700      -3.954400      -1.861300    
 H   -3.991500      -2.762600      -1.624600    
 H   -2.506800      -2.293600      -2.445900    
 H    3.865900      -2.766900      0.1418000    
 H    4.931200      -2.460700      -1.052100    
 H    6.121500       1.654200      -1.308400    


%chk=000122323-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122323

0 1
S 3.085838 1.532627 0.853034
O 2.730465 -0.870598 -1.814519
O 5.006354 -0.392558 -1.767883
N 4.865578 -2.251565 0.619245
C -2.896943 2.962042 -0.201684
C -1.476613 3.337182 0.323785
C -4.652336 -0.459064 0.772390
C -4.140942 0.693608 -0.087137
C -3.474822 1.738808 0.483538
C -0.441330 2.225935 0.189594
C -4.156659 -1.872177 0.330656
C -4.447109 0.585995 -1.572143
C 0.318107 1.861987 1.265952
C -2.653713 -2.037028 0.435971
C -0.316616 1.586854 -1.180855
C 1.362982 0.783168 1.279907
C -1.795158 -2.584103 -0.472946
C 4.175107 0.031582 1.222924
C 3.899168 -1.186429 0.310859
C -0.306162 -2.687625 -0.176383
C -2.207347 -3.142355 -1.825083
C 3.971213 -0.751195 -1.165582
H -3.555037 3.840502 -0.029243
H -2.856272 2.818493 -1.296695
H -1.132568 4.227455 -0.245429
H -1.550445 3.645810 1.384648
H -4.359981 -0.290351 1.827236
H -5.763501 -0.472229 0.746026
H -3.316155 1.706090 1.573732
H -4.513482 -2.087790 -0.692993
H -4.653995 -2.615732 0.989994
H -5.515949 0.341625 -1.731814
H -4.230643 1.515794 -2.122517
H -3.860190 -0.228296 -2.041900
H 0.178733 2.405387 2.210984
H -2.221521 -1.666411 1.379853
H -0.299335 2.364782 -1.968890
H 0.596927 0.979296 -1.284182
H -1.190487 0.935940 -1.382371
H 1.466022 0.336361 2.283963
H 1.160031 -0.006282 0.540418
H 4.046803 -0.271958 2.274664
H 5.208208 0.391729 1.072392
H 2.884195 -1.570700 0.503278
H -0.067647 -2.304294 0.831844
H 0.295161 -2.119125 -0.914785
H 0.036174 -3.740821 -0.233592
H -2.003348 -4.230793 -1.877041
H -3.276444 -2.992869 -2.048842
H -1.616436 -2.673179 -2.636910
H 4.588701 -3.189125 0.314740
H 5.830105 -2.019114 0.359063
H 2.823511 -0.569589 -2.760471


