%chk=000147870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147870

0 1
 S    4.861000      -1.699800     -8.7000001E-03
 S   -4.259300      -2.902400      2.1700000E-02
 S   -4.984200       2.488200     -7.9200000E-02
 O    5.355100      -1.719700       1.548300    
 O    6.019600      -1.451900     -0.8501000    
 O    4.031600      -2.877100     -0.2091000    
 O   -4.221300      -3.302200      -1.563100    
 O   -5.444500       2.831600       1.451600    
 O   -5.652300      -2.815200      0.4320000    
 O   -3.338400      -3.797300      0.7074000    
 O   -4.192900       3.616700     -0.5478000    
 O   -6.158900       2.049100     -0.8161000    
 N    5.739200       1.217500      9.8899998E-02
 N   0.2374000      0.4364000     -0.5973000    
 N  -0.3322000      0.3798000      0.5179000    
 C    4.354500       1.000900     -7.5599998E-02
 C    3.830400     -0.2901000     -0.1408000    
 C    2.459300     -0.4782000     -0.3145000    
 C    3.507400       2.103800     -0.1841000    
 C    1.612100      0.6247000     -0.4231000    
 C   -3.602600      -1.286700      0.1031000    
 C   -3.924700       1.107300      5.9500001E-02
 C   -1.713800      0.1908000      0.3424000    
 C    2.136200       1.915700     -0.3579000    
 C   -4.449200     -0.1836000     -6.0000001E-03
 C   -2.231500      -1.099200      0.2777000    
 C   -2.553600       1.294900      0.2342000    
 C    6.300300       1.331600       1.429300    
 C    6.615500       1.314000      -1.050300    
 H    2.027000      -1.473800     -0.3666000    
 H    3.903900       3.114900     -0.1351000    
 H   -5.517000     -0.3297000     -0.1422000    
 H    1.484400       2.781400     -0.4422000    
 H   -1.559200      -1.949500      0.3579000    
 H   -2.132000       2.295000      0.2945000    
 H    6.651100       2.354500       1.601100    
 H    7.150300      0.6517000       1.549000    
 H    5.567500       1.092000       2.207800    
 H    7.555300      0.7794000     -0.8765000    
 H    6.858200       2.365200      -1.239400    
 H    6.155400      0.9140000      -1.960800    
 H    4.636900      -1.800200       2.219200    
 H   -3.324000      -3.327700      -1.971400    
 H   -4.714900       3.080300       2.066700    


%chk=000147870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147870

0 1
S 4.317657 1.057287 2.571959
S -4.491499 -0.535910 -2.891138
S -5.033187 0.084354 2.679538
O 5.325358 2.546021 2.061915
O 5.271265 0.022458 3.373146
O 2.996076 1.585795 3.339842
O -4.795342 1.269232 -3.196211
O -5.024307 -1.738318 3.017445
O -5.918563 -1.283789 -2.753562
O -3.370440 -1.070447 -3.925228
O -4.237371 0.845164 3.862034
O -6.527550 0.532690 2.258101
N 6.064444 0.410621 -0.367995
N 0.394875 0.007423 -0.689320
N -0.331056 0.110382 0.400963
C 4.687101 0.342822 -0.345556
C 3.810723 0.514631 0.794794
C 2.422750 0.419870 0.727908
C 3.986342 0.082673 -1.585115
C 1.785203 0.130247 -0.511314
C -3.718266 -0.275456 -1.188401
C -3.948432 -0.041356 1.149175
C -1.735174 -0.005859 0.167060
C 2.601037 -0.022274 -1.667457
C -4.590115 -0.213805 -0.086699
C -2.329606 -0.184366 -1.117304
C -2.563542 0.069731 1.318045
C 6.771436 0.588764 -1.654231
C 6.952261 0.245566 0.802059
H 1.798247 0.602718 1.610915
H 4.575876 -0.080807 -2.489241
H -5.677887 -0.292614 -0.183969
H 2.113150 -0.241138 -2.622386
H -1.694608 -0.250934 -2.006642
H -2.111937 0.219674 2.303829
H 6.902086 -0.369289 -2.196625
H 7.769522 1.005126 -1.445546
H 6.238162 1.301853 -2.304611
H 7.260600 1.224008 1.211334
H 7.846857 -0.315979 0.480920
H 6.463238 -0.326794 1.603608
H 5.405203 3.129525 2.871957
H -5.325969 1.353296 -4.041620
H -5.591519 -1.905698 3.825923


