%chk=000109299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109299

0 1
 S   -1.016300      0.8806000      -1.457200    
 O   0.3833000      -1.808900     -0.8149000    
 O   0.8608000       2.687300      0.2239000    
 N   0.3107000      0.5165000     -0.4902000    
 C    1.813400     -0.6780000      0.7986000    
 C    2.278100      0.7831000      0.7163000    
 C    2.907400      -1.735000      0.7233000    
 C    3.458600       1.025500     -0.2302000    
 C    3.982100      -1.421700     -0.3098000    
 C    4.550100     -2.5599999E-02 -9.6000001E-02
 C   0.7650000     -0.7732000     -0.2907000    
 C    1.058600       1.482700      0.1540000    
 C   -2.283300     -7.6399997E-02 -0.5581000    
 C   -2.396000      0.4259000      0.8843000    
 C   -3.626200      1.3200000E-02  -1.289100    
 C   -3.493100     -0.3201000       1.643600    
 C   -4.720500     -0.7317000     -0.5246000    
 C   -4.832800     -0.2441000      0.9169000    
 H    1.259600     -0.8239000       1.737800    
 H    2.502700       1.162700       1.718900    
 H    2.480400      -2.722800      0.5148000    
 H    3.387900      -1.805300       1.707900    
 H    3.879600       2.019900     -3.6600001E-02
 H    3.117400       1.046900      -1.274100    
 H    4.787000      -2.161700     -0.2353000    
 H    3.563900      -1.504400      -1.320300    
 H    5.337800      0.1682000     -0.8328000    
 H    5.013500      4.3099999E-02  0.8956000    
 H   -1.987200      -1.130600     -0.5467000    
 H   -2.624900       1.499700      0.8996000    
 H   -1.458400      0.2884000       1.434000    
 H   -3.543400     -0.4131000      -2.296500    
 H   -3.930000       1.061900      -1.405900    
 H   -3.596100      0.1010000       2.650100    
 H   -3.202500      -1.371000       1.765000    
 H   -4.502100      -1.806700     -0.5304000    
 H   -5.681300     -0.5986000      -1.034500    
 H   -5.577100     -0.8443000       1.452200    
 H   -5.192700      0.7922000      0.9239000    


%chk=000109299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000109299

0 1
S -1.051514 0.690561 -1.463745
O 0.541308 -1.995074 -0.864411
O 0.735509 2.530996 0.444407
N 0.369708 0.337927 -0.422243
C 2.046905 -0.845451 0.783216
C 2.382844 0.675266 0.795531
C 3.224270 -1.827881 0.598867
C 3.522355 1.065334 -0.201339
C 4.266129 -1.344245 -0.433946
C 4.721924 0.097579 -0.116415
C 0.938040 -0.962755 -0.280466
C 1.085224 1.339837 0.311059
C -2.432021 -0.155000 -0.431328
C -2.616693 0.518184 0.939376
C -3.711845 -0.080516 -1.292245
C -3.803999 -0.129940 1.698976
C -4.902203 -0.719627 -0.528586
C -5.102655 -0.067048 0.859642
H 1.539445 -1.093314 1.740111
H 2.639596 1.039150 1.804854
H 2.814579 -2.813288 0.308552
H 3.727165 -1.957390 1.577730
H 3.824346 2.108493 0.001336
H 3.127968 1.040751 -1.237399
H 5.129900 -2.035367 -0.433543
H 3.831396 -1.375276 -1.453434
H 5.505033 0.422473 -0.827370
H 5.170743 0.132599 0.897738
H -2.112059 -1.207481 -0.323338
H -2.812787 1.597722 0.788499
H -1.688282 0.438980 1.535887
H -3.555790 -0.595861 -2.258699
H -3.947999 0.981035 -1.511987
H -3.945381 0.382634 2.669642
H -3.565086 -1.189488 1.926287
H -4.710851 -1.804637 -0.400469
H -5.821331 -0.625281 -1.137702
H -5.930999 -0.566754 1.397757
H -5.398892 0.993856 0.725998


