%chk=000162449.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162449

0 1
 S   -1.808600      8.5000001E-02 -0.5415000    
 O    5.056500       1.058300      0.7667000    
 O    5.333800      -1.800300      -1.394900    
 O    7.290300     -0.9631000      0.2952000    
 O    6.060100       3.629700      0.2734000    
 O   -4.378900      -2.145300      -1.964600    
 O   -8.318600       2.106500      0.4229000    
 O   -6.617300       2.352900       1.795100    
 N    3.094300      7.8900002E-02 -0.1392000    
 N    1.274200      0.9562000      -1.085700    
 N    2.054700      -1.584500       1.294400    
 N  -0.3754000      -1.555100       1.071300    
 N   0.7013000      -3.047000       2.521200    
 N   -7.164900       1.802900      0.8098000    
 C    5.369000     -0.4310000      -1.048100    
 C    4.506900     -0.1317000      0.1689000    
 C    6.733400      2.5800001E-02 -0.5709000    
 C    6.392400       1.264300      0.2518000    
 C    6.397100       2.544100     -0.5724000    
 C    2.028500     -0.5947000      0.3892000    
 C    2.588500       1.000300      -1.019300    
 C   0.9109000     -3.6400001E-02 -0.2104000    
 C  -0.3263000     -0.5532000      0.1607000    
 C   0.8008000      -2.002000       1.574200    
 C   -3.090400     -0.9194000      0.2708000    
 C   -4.475200     -0.5462000     -0.1818000    
 C   -5.049500      -1.178500      -1.277600    
 C   -5.166300      0.4389000      0.5132000    
 C   -6.451300      0.7972000      0.1059000    
 C   -6.334500     -0.8202000      -1.685000    
 C   -7.035500      0.1675000     -0.9932000    
 H    5.068100      0.1549000      -1.923100    
 H    4.563900     -0.9372000      0.9107000    
 H    7.444000      0.1967000      -1.384500    
 H    7.048400       1.379700       1.122000    
 H    5.663800       2.515100      -1.384100    
 H    7.386400       2.733900     -0.9989000    
 H    5.668400      -2.311100     -0.6382000    
 H    8.140300     -0.6192000      0.6191000    
 H    3.218000       1.679600      -1.577300    
 H    5.180800       3.448100      0.6471000    
 H   -3.013000     -0.7869000       1.356900    
 H   -2.902100      -1.982100      7.9400003E-02
 H    1.542900      -3.424900       2.933800    
 H  -0.2101000      -3.403800       2.772700    
 H   -4.689900      0.9167000       1.366000    
 H   -6.801300      -1.302600      -2.539600    
 H   -8.034400      0.4205000      -1.339300    
 H   -4.940000      -2.465300      -2.691800    


%chk=000162449-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000162449

0 1
S -1.919178 0.145216 -0.621862
O 5.085718 1.230523 0.643401
O 5.327167 -1.851655 -1.390584
O 7.235825 -1.156646 0.303236
O 6.326792 3.711937 0.276803
O -4.409588 -2.181598 -1.954120
O -8.568035 1.997154 0.493738
O -6.821346 2.224713 1.945464
N 3.107517 0.194508 -0.200397
N 1.236840 1.076705 -1.204030
N 2.031041 -1.456194 1.293351
N -0.422156 -1.453713 1.051259
N 0.661263 -2.893140 2.546668
N -7.378119 1.697105 0.904562
C 5.410798 -0.453802 -1.047506
C 4.494006 -0.036226 0.143106
C 6.812555 -0.023759 -0.539292
C 6.540899 1.257757 0.277316
C 6.776497 2.562620 -0.500935
C 2.013528 -0.479368 0.356560
C 2.573059 1.118388 -1.129013
C 0.863614 0.075221 -0.284017
C -0.382752 -0.472299 0.115910
C 0.768347 -1.900686 1.599661
C -3.172075 -0.992293 0.279673
C -4.564003 -0.611848 -0.146952
C -5.169975 -1.222336 -1.286168
C -5.309364 0.352552 0.559927
C -6.614729 0.691779 0.140983
C -6.480652 -0.872949 -1.702070
C -7.211839 0.090362 -0.989051
H 5.133676 0.108061 -1.955521
H 4.510397 -0.810701 0.933018
H 7.530521 0.138990 -1.366264
H 7.115841 1.271984 1.222362
H 6.258848 2.515814 -1.485382
H 7.855147 2.724277 -0.673418
H 5.890688 -2.342360 -0.731503
H 8.174067 -1.051803 0.592532
H 3.203823 1.805410 -1.687742
H 5.405396 3.515601 0.592339
H -3.005988 -0.848221 1.356976
H -2.910771 -2.022210 0.000641
H 1.504073 -3.258265 2.980675
H -0.259117 -3.243983 2.794122
H -4.885467 0.851412 1.436022
H -6.925274 -1.356141 -2.580793
H -8.223325 0.380874 -1.282929
H -4.879987 -2.534765 -2.749754


