%chk=000162527.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162527

0 1
 S    4.968200     -1.7700000E-02   1.207400    
 O   -5.003200       2.985600      0.2209000    
 O   -5.087200      -2.971100      0.1842000    
 O   -4.838100       3.205000      -2.072900    
 O   -5.206000      -2.998700      -2.122800    
 O    4.779200     -1.4800000E-02  -3.641800    
 O    2.796700     -1.4400000E-02  -2.692600    
 O    8.672400     -1.9300001E-02  0.1246000    
 O    7.711200     -2.0000000E-02   2.101400    
 N   -3.357100     -2.4800001E-02   1.534400    
 N    2.232600     -1.6500000E-02   1.218400    
 N    2.596100     -1.6200000E-02  1.8800000E-02
 N    4.050900     -1.5100000E-02  -2.617900    
 N    7.634300     -1.9200001E-02  0.8420000    
 C   -4.091600       1.224000       1.575500    
 C   -4.088700      -1.275600       1.561700    
 C   -1.948900     -2.2700001E-02   1.455000    
 C   -4.251000       1.779800      0.1707000    
 C   -4.401100      -1.726100      0.1449000    
 C   -1.250800      -1.229700       1.415900    
 C   -1.254300       1.186400       1.415500    
 C   0.1418000      -1.227600       1.337100    
 C   0.1382000       1.188400       1.336700    
 C   0.8364000     -1.8600000E-02   1.297400    
 C   -5.224900       3.598900     -0.9810000    
 C   -5.433000      -3.498300      -1.029200    
 C    3.945700     -1.6400000E-02 -0.1661000    
 C   -6.025600       4.848900     -0.7751000    
 C   -6.144200      -4.802900     -0.8338000    
 C    4.661200     -1.6100001E-02  -1.343200    
 C    6.067500     -1.7200001E-02  -1.114400    
 C    6.373200     -1.8200001E-02  0.2286000    
 H   -3.656800       1.958900       2.263800    
 H   -5.095800       1.060600       1.990000    
 H   -5.044400      -1.135800       2.085900    
 H   -3.609900      -2.063300       2.154000    
 H   -3.281200       1.985000     -0.2948000    
 H   -4.785200       1.073000     -0.4696000    
 H   -5.047000      -1.000500     -0.3566000    
 H   -3.482100      -1.839100     -0.4417000    
 H   -1.728500      -2.202600       1.425500    
 H   -1.735700       2.157500       1.445900    
 H   0.6777000      -2.172800       1.303800    
 H   0.6715000       2.135100       1.307800    
 H   -6.993900       4.599900     -0.3338000    
 H   -6.196700       5.333500      -1.740700    
 H   -5.475000       5.539700     -0.1316000    
 H   -5.484800      -5.511900     -0.3270000    
 H   -6.417500      -5.216800      -1.808700    
 H   -7.057200      -4.643900     -0.2546000    
 H    6.819500     -1.7300000E-02  -1.894900    


%chk=000162527-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162527

0 1
S 4.955034 -1.457825 0.143146
O -4.970510 3.075193 -0.228115
O -5.373963 -3.155731 0.786648
O -5.463606 2.973401 -2.501682
O -5.868959 -3.732626 -1.414606
O 6.077360 3.337350 -0.761754
O 3.835075 3.121483 -0.382286
O 8.876048 -0.994358 -0.496042
O 7.569494 -2.827670 -0.028074
N -3.395749 -0.003014 1.215855
N 2.167225 -0.612260 0.422033
N 2.887028 0.476660 0.150446
N 5.021506 2.630764 -0.490602
N 7.738026 -1.558908 -0.245924
C -4.068423 1.311739 1.120522
C -4.236956 -1.179059 1.528404
C -2.026802 -0.134449 0.994023
C -4.402974 1.707784 -0.330942
C -4.646161 -1.969721 0.269972
C -1.375757 -1.415177 1.079293
C -1.210492 1.015063 0.683405
C 0.001051 -1.529583 0.886991
C 0.162434 0.896236 0.493275
C 0.802232 -0.384038 0.592843
C -5.474247 3.615554 -1.431101
C -5.950803 -3.989364 -0.195629
C 4.221270 0.242791 -0.009390
C -5.974089 5.025046 -1.219475
C -6.617767 -5.185692 0.441130
C 5.234733 1.191881 -0.302732
C 6.549392 0.649710 -0.412044
C 6.563187 -0.719732 -0.204132
H -3.445046 2.097446 1.581020
H -5.003588 1.269985 1.703596
H -5.147412 -0.832493 2.045213
H -3.711968 -1.851063 2.229321
H -3.507497 1.730154 -0.977847
H -5.145331 1.033212 -0.793839
H -5.310541 -1.390844 -0.396167
H -3.772975 -2.302606 -0.319433
H -1.947704 -2.319388 1.299509
H -1.661996 2.006271 0.595389
H 0.498394 -2.502285 0.955708
H 0.780094 1.770204 0.263129
H -6.164363 5.228466 -0.155584
H -6.888550 5.184771 -1.812440
H -5.212748 5.738728 -1.583856
H -5.915231 -6.039229 0.437247
H -7.499548 -5.474903 -0.151407
H -6.903772 -4.977627 1.482837
H 7.432844 1.248755 -0.632852


