%chk=000160798.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160798

0 1
 S    8.012100     -0.4945000      -1.968300    
 S    4.876000     -0.4568000     -0.5402000    
 O    6.957200      -1.738200      -1.981900    
 O    7.756100      0.3043000      -3.152100    
 O    9.334900      -1.015500      -1.682600    
 O   -3.326300     -8.7700002E-02   1.144500    
 O   -7.201600      -2.015500     -0.6956000    
 N    4.585000       1.094000       1.500000    
 N   -1.457600      -1.242000       1.274100    
 N   -1.913500      -2.381300      0.7258000    
 N   -5.967300      0.1679000      0.4633000    
 N   -7.255500      0.1285000      7.2200000E-02
 C    7.546600      0.4710000     -0.5702000    
 C    6.251200      0.4485000     -2.8500000E-02
 C    5.901200       1.223800       1.081200    
 C    8.500500       1.297400      2.9100001E-02
 C    3.958600      0.2411000      0.7237000    
 C    6.884400       2.050000       1.667600    
 C    8.176000       2.077400       1.133500    
 C    2.572800     -0.1385000      0.8637000    
 C    9.899800       1.372600     -0.4951000    
 C    1.696200      0.6788000       1.576100    
 C    2.112800      -1.321900      0.2877000    
 C  -0.1038000     -0.8717000       1.136900    
 C   0.3574000      0.3121000       1.712700    
 C   0.7740000      -1.688600      0.4242000    
 C   -3.154500      -2.318300      0.3835000    
 C   -3.892500      -1.036100      0.6330000    
 C   -5.332900     -0.9347000      0.2472000    
 C   -3.923500      -3.420600     -0.2435000    
 C   -6.026600      -2.102800     -0.3814000    
 C   -5.214200      -3.322700     -0.5869000    
 C   -7.910000       1.292200     -0.3610000    
 C   -9.248400       1.239100     -0.7624000    
 C   -7.229200       2.513100     -0.3934000    
 C   -9.899600       2.395400      -1.191800    
 C   -7.880300       3.669400     -0.8230000    
 C   -9.215500       3.610700      -1.222200    
 H    6.641500       2.662900       2.531100    
 H    8.918600       2.718900       1.601900    
 H    10.41170       2.260900     -0.1040000    
 H    10.48840      0.5095000     -0.1704000    
 H    9.930700       1.484100      -1.583300    
 H    2.031200       1.607800       2.031200    
 H    2.748200      -2.014700     -0.2556000    
 H  -0.3173000      0.9579000       2.269000    
 H   0.4497000      -2.619900     -3.2499999E-02
 H    6.046700      -1.519800      -2.290400    
 H   -1.985100     -0.7609000       1.993900    
 H   -3.384800      -4.345800     -0.4221000    
 H   -5.719300      -4.168000      -1.042900    
 H   -7.831300     -0.6878000      0.2408000    
 H   -9.793600      0.2985000     -0.7443000    
 H   -6.188900       2.596600     -8.9900002E-02
 H   -10.93920       2.349700      -1.502800    
 H   -7.348000       4.615800     -0.8468000    
 H   -9.722500       4.511100      -1.556700    


%chk=000160798-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160798

0 1
S 9.100986 -1.528116 -0.383907
S 5.463954 -1.018372 -0.197667
O 7.643246 -2.677247 -0.345999
O 9.612454 -1.427953 -1.917928
O 10.152982 -1.999269 0.746232
O -3.732017 0.621572 0.088225
O -7.449071 -2.319179 -0.971379
N 4.808646 1.489426 0.563407
N -1.393122 -0.411526 -0.167231
N -1.945225 -1.577999 -0.550484
N -6.472979 0.274088 -0.114846
N -7.791158 0.103823 -0.217059
C 8.184686 0.051867 0.152028
C 6.781606 0.159910 0.179642
C 6.205471 1.427992 0.564425
C 9.049386 1.132765 0.470525
C 4.250579 0.345956 0.196036
C 7.042036 2.514622 0.902276
C 8.434964 2.360460 0.851558
C 2.811188 0.111450 0.096127
C 10.564010 1.040372 0.421121
C 1.913385 1.174097 0.409179
C 2.271199 -1.143764 -0.307615
C 0.004752 -0.271339 -0.087424
C 0.527332 0.987848 0.319377
C 0.886191 -1.340910 -0.400909
C -3.303850 -1.649916 -0.614603
C -4.215844 -0.522244 -0.288941
C -5.661891 -0.779712 -0.420334
C -3.842393 -2.925852 -1.033386
C -6.166601 -2.103437 -0.856344
C -5.197750 -3.151005 -1.151077
C -8.678441 1.165579 0.089351
C -10.069613 0.921378 -0.045531
C -8.200127 2.431525 0.516485
C -10.985762 1.951859 0.249540
C -9.128512 3.449236 0.807068
C -10.520991 3.218079 0.676324
H 6.579832 3.462361 1.190761
H 9.084787 3.204302 1.104107
H 11.006366 2.042785 0.535173
H 10.953962 0.390769 1.224504
H 10.922215 0.618328 -0.536117
H 2.330743 2.136317 0.719324
H 2.941352 -1.976221 -0.552148
H -0.156908 1.809290 0.560665
H 0.467275 -2.301021 -0.710923
H 7.864800 -3.437629 -0.956691
H -2.070262 0.370953 0.059691
H -3.114992 -3.713995 -1.256522
H -5.598820 -4.117501 -1.469096
H -8.119046 -0.856487 -0.534688
H -10.424492 -0.061610 -0.377037
H -7.122142 2.588262 0.609968
H -12.060033 1.766118 0.146417
H -8.767039 4.429001 1.137499
H -11.234607 4.016614 0.904953


