%chk=000084001.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084001

0 1
 S   0.6602000     -0.5935000      0.9783000    
 O   -2.831000      0.3257000      -2.231100    
 O   -1.755100      -3.462100      0.4568000    
 O   -5.668700       1.882000       2.192600    
 O   -5.481600       3.907900       1.191600    
 O    1.741800      -4.029000      0.9113000    
 O    1.713200      -6.297700      0.9002000    
 O    5.907800       2.895100      -1.886900    
 N   -2.253200     -0.9570000     -0.3829000    
 N   7.1000000E-03  -3.758500      -1.022800    
 N   -6.999200       2.966600     -0.9079000    
 N    5.669700       2.614700      0.4418000    
 C   -1.102400      -1.607400     -0.9656000    
 C   -5.030300       1.511900     -0.9605000    
 C   -4.163600      0.4938000     -0.2165000    
 C   -6.222800       1.998500     -0.1295000    
 C   0.1840000     -0.8016000     -0.7688000    
 C   -3.026900     -3.6100000E-02  -1.074100    
 C   -1.013100      -3.032800     -0.4244000    
 C   -5.763500       2.717900       1.125800    
 C    2.159900      0.3668000      0.8177000    
 C   0.3069000      -5.124400     -0.6618000    
 C    2.623900      0.7294000     -0.4468000    
 C    2.865800      0.7535000       1.957000    
 C    4.499600       1.865300      0.5672000    
 C    3.793700       1.478600     -0.5721000    
 C    4.035700       1.502700       1.831700    
 C    1.316500      -5.228900      0.4521000    
 C    6.284900       3.068500     -0.7325000    
 C    7.541100       3.850100     -0.4397000    
 H   -1.285300      -1.693800      -2.045200    
 H   -5.395200       1.061000      -1.893000    
 H   -4.400900       2.363900      -1.252400    
 H   -3.714500      0.9481000      0.6737000    
 H   -4.776500     -0.3568000      0.1047000    
 H   -6.877500       1.164500      0.1469000    
 H   0.9994000      -1.300300      -1.301200    
 H   2.4800001E-02  0.1906000      -1.206600    
 H   -2.486200      -1.170600      0.5831000    
 H   0.5608000      -3.336700      -1.761700    
 H   -7.325600       2.528900      -1.768700    
 H   -7.836800       3.228600     -0.3889000    
 H   0.7169000      -5.611400      -1.550900    
 H  -0.6130000      -5.625900     -0.3470000    
 H    2.137900      0.4745000      -1.379100    
 H    2.519500      0.4800000       2.950700    
 H    4.091100       1.722300      -1.582500    
 H    4.575800       1.797200       2.728000    
 H   -5.358500       2.349900       2.997000    
 H    6.126200       2.856900       1.318900    
 H    2.396700      -4.123500       1.635400    
 H    8.246300       3.225000      0.1153000    
 H    7.295000       4.736900      0.1509000    
 H    8.008500       4.165200      -1.376700    


%chk=000084001-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084001

0 1
S -0.097790 1.970884 0.020862
O -3.447580 0.109626 -2.261522
O -0.549630 -1.618854 1.240854
O -6.507305 0.639866 2.163279
O -8.238172 2.129780 1.783838
O 3.614933 -1.562128 -1.119749
O 4.406452 -2.278909 0.950924
O 5.979994 -0.552561 -1.297161
N -2.358331 -0.445182 -0.293931
N 1.060085 -1.790486 -0.425944
N -7.984539 1.957093 -0.925264
N 5.879096 0.855750 0.566033
C -1.054773 -0.596898 -0.939885
C -5.672502 1.109967 -0.615455
C -4.795570 -0.093658 -0.205800
C -7.159622 1.030119 -0.156241
C -0.476403 0.766922 -1.403402
C -3.492866 -0.125825 -1.008295
C -0.154438 -1.372695 0.055033
C -7.372758 1.352273 1.323523
C 1.716925 1.700188 0.197322
C 2.021609 -2.495965 0.428593
C 2.592235 1.953214 -0.886871
C 2.241076 1.256957 1.434203
C 4.482453 1.194575 0.458294
C 3.970577 1.694107 -0.763297
C 3.624877 1.007915 1.567477
C 3.468756 -2.103092 0.133269
C 6.548746 0.015996 -0.301600
C 8.016292 -0.229604 -0.009683
H -1.185744 -1.199693 -1.864638
H -5.679550 1.158860 -1.720229
H -5.233429 2.060787 -0.262736
H -4.601782 -0.095420 0.879558
H -5.344289 -1.031336 -0.435290
H -7.471517 -0.043843 -0.257534
H 0.449277 0.640875 -1.989933
H -1.234374 1.259471 -2.032636
H -2.377607 -0.685636 0.705157
H 1.403298 -1.508483 -1.348432
H -8.115823 1.737149 -1.910896
H -8.783735 2.362818 -0.436232
H 1.932912 -3.595255 0.308601
H 1.793682 -2.274853 1.484209
H 2.196544 2.355869 -1.825559
H 1.562849 1.061413 2.270518
H 4.643461 1.867170 -1.607968
H 4.020849 0.604974 2.505797
H -6.719552 0.868660 3.109154
H 6.379587 1.161604 1.403456
H 4.569558 -1.165309 -1.275503
H 8.431391 0.446942 0.756119
H 8.593471 -0.117766 -0.942099
H 8.137997 -1.273871 0.328612


