%chk=000083903.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083903

0 1
 I   -3.459000      -1.061200      -3.911000    
 I   -5.331100      -1.272200       1.894400    
 S  -0.9869000       4.399500     -0.4238000    
 O  -0.9869000       1.867800       3.619800    
 O    3.559000     -0.9484000      -1.651400    
 O    2.260200      -3.602500       1.014500    
 O   -5.343600     -0.7547000      -1.299200    
 N  -0.1187000       1.798100       1.444900    
 N   -2.334900       2.084000       1.716000    
 N    5.269100     -0.4622000     -0.1612000    
 N    2.916000      -1.395600       1.321200    
 C  -0.6385000       1.835100      9.1200002E-02
 C   -2.147100       2.111100      0.2787000    
 C  -1.7100001E-02   2.915500     -0.7982000    
 C   -2.530500       3.467200     -0.3090000    
 C    1.473500       3.145300     -0.6119000    
 C   -1.129500       1.914500       2.405500    
 C    2.298800       2.069100      -1.317500    
 C    3.798900       2.290600      -1.102300    
 C    4.648400       1.212800      -1.773800    
 C    4.416400     -0.1826000      -1.219000    
 C    5.223800      -1.718100      0.5488000    
 C    4.267700      -1.670900       1.728700    
 C   0.6598000      -1.834600      0.5970000    
 C  -0.3443000      -2.927000      0.2339000    
 C    2.012100      -2.399800      0.9933000    
 C   -1.674300      -2.348200     -0.1739000    
 C   -2.660700      -2.122800      0.7863000    
 C   -1.919500      -2.038700      -1.511700    
 C   -3.151200      -1.504000      -1.889400    
 C   -3.892400      -1.588200      0.4085000    
 C   -4.137700      -1.278800     -0.9294000    
 H  -0.4724000      0.8426000     -0.3387000    
 H   -2.770000       1.319300     -0.1460000    
 H  -0.2279000       2.680700      -1.848800    
 H   -3.273700       4.004800      0.2869000    
 H   -2.921300       3.343200      -1.324100    
 H    1.752500       4.109600      -1.058700    
 H    1.754300       3.213800      0.4450000    
 H   0.8489000       1.600600       1.680100    
 H   -3.237500       2.165700       2.173300    
 H    2.008000       1.088100     -0.9272000    
 H    2.077100       2.071300      -2.391500    
 H    4.013700       2.304700     -2.6699999E-02
 H    4.085500       3.270100      -1.503100    
 H    4.439200       1.181200      -2.849800    
 H    5.709400       1.472100      -1.674300    
 H    5.936000      0.2381000      0.1497000    
 H    4.936600      -2.513100     -0.1486000    
 H    6.239500      -1.926400      0.9004000    
 H    4.558300     -0.8764000       2.424700    
 H    4.296100      -2.623000       2.269100    
 H    2.622200     -0.4245000       1.264800    
 H   0.2818000      -1.231700       1.431400    
 H   0.8138000      -1.164900     -0.2574000    
 H  -0.4842000      -3.610300       1.081800    
 H   5.0000001E-02  -3.550000     -0.5796000    
 H   -2.456800      -2.365400       1.826800    
 H   -1.141600      -2.216400      -2.250900    
 H   -5.332200     -0.6023000      -2.259800    


%chk=000083903-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083903

0 1
I -5.973526 -5.929233 1.308401
I -4.820470 -0.610114 -1.576180
S -0.383352 3.850144 1.482135
O -0.334379 -0.292463 -0.867934
O 3.416175 1.374046 -1.578376
O 2.403746 -3.951416 1.067375
O -6.383849 -3.158681 -0.487347
N 0.730086 1.822390 -1.096134
N -1.500954 1.767137 -0.971756
N 4.881266 0.069843 -0.355676
N 1.723091 -1.870761 0.252342
C 0.366897 3.243522 -1.117716
C -1.224080 3.206725 -1.064637
C 0.916972 4.061139 0.101500
C -1.718808 4.010791 0.164178
C 2.311710 3.655392 0.611147
C -0.356724 0.981976 -0.969411
C 3.475647 4.151415 -0.288012
C 4.858660 3.586292 0.159527
C 5.445978 2.459521 -0.747812
C 4.511217 1.266551 -0.924486
C 4.009265 -1.117589 -0.455560
C 2.928833 -1.159801 0.670229
C 0.130564 -3.706491 0.114883
C -0.885557 -3.438197 1.273485
C 1.528876 -3.214103 0.507047
C -2.334734 -3.418135 0.809050
C -2.793814 -2.339069 0.004201
C -3.249904 -4.433304 1.172846
C -4.590366 -4.363427 0.742622
C -4.135838 -2.277248 -0.401210
C -5.071952 -3.285955 -0.047639
H 0.725154 3.717621 -2.051620
H -1.669195 3.632361 -1.985811
H 0.904909 5.136163 -0.168617
H -2.664054 3.614680 0.567787
H -1.845718 5.077246 -0.093350
H 2.455649 4.069458 1.628907
H 2.342404 2.554616 0.708276
H 1.688159 1.495111 -1.309275
H -2.431795 1.353206 -0.918762
H 3.287650 3.864360 -1.338447
H 3.500548 5.258432 -0.253702
H 4.784701 3.213536 1.200571
H 5.609697 4.398856 0.177276
H 5.627333 2.876181 -1.756062
H 6.424166 2.137573 -0.341102
H 5.756093 0.011937 0.167736
H 3.494761 -1.064558 -1.429844
H 4.627119 -2.030851 -0.432152
H 2.647928 -0.121043 0.925426
H 3.336945 -1.651833 1.570848
H 0.975018 -1.318589 -0.217126
H -0.210354 -3.176605 -0.792900
H 0.177798 -4.785275 -0.108052
H -0.647044 -2.452751 1.717031
H -0.740431 -4.194070 2.065865
H -2.083905 -1.556855 -0.294963
H -2.915455 -5.271032 1.791865
H -6.933656 -3.927171 -0.172084


