%chk=000158842.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158842

0 1
 S    4.832400      0.3702000     -0.3311000    
 O   -7.231500       1.040400       1.638400    
 O   -7.451200       2.626800     -0.1624000    
 O    5.169600     -0.7097000      -1.312100    
 O   -3.173500      -2.264800       1.717400    
 N    1.151400     -0.8936000      0.7274000    
 N   -1.034500      -1.576600       1.190600    
 N  -0.4607000     -0.8624000     -0.9759000    
 N    9.368400      0.9673000     -0.3910000    
 N    7.712800       2.127100      0.5287000    
 C   -4.139900      -1.817500     -0.9408000    
 C    3.474700     -0.2508000      0.7057000    
 C   -5.022000     -0.6104000     -0.7658000    
 C    2.203100     -0.4041000     -0.1098000    
 C    6.080300      0.3324000      0.9773000    
 C   -2.731500      -1.567500     -0.5120000    
 C    7.397900      0.8027000      0.4632000    
 C   -5.697600     -0.4297000      0.4361000    
 C   -6.494000      0.6914000      0.5491000    
 C  -0.1201000      -1.098500      0.2606000    
 C   -6.619600       1.597200     -0.4791000    
 C   -5.142700      0.3047000      -1.817900    
 C    8.392300      5.7200000E-02 -9.7199999E-02
 C   -2.360400      -1.842200      0.9016000    
 C   -5.955800       1.431900      -1.677300    
 C   -1.765000      -1.107400      -1.320200    
 C   -7.834800       2.267900       1.180700    
 C    8.536500      -1.377700     -0.3872000    
 C    8.915600       2.195700      2.7999999E-03
 H   -4.159700      -2.127000      -1.995200    
 H   -4.565700      -2.675900     -0.4048000    
 H    3.776600      -1.212700       1.134800    
 H    3.322600      0.4581000       1.527000    
 H    1.920700      0.5636000     -0.5424000    
 H    2.371300      -1.099000     -0.9416000    
 H    6.157000     -0.6865000       1.369700    
 H    5.746100      0.9853000       1.790400    
 H   -5.615900      -1.135700       1.254300    
 H    1.360400      -1.097500       1.700500    
 H   -4.608700      0.1509000      -2.752100    
 H   -6.057600       2.147700      -2.485000    
 H  -0.7120000      -1.741700       2.139400    
 H   -1.995800     -0.8952000      -2.360100    
 H   -7.540000       3.077700       1.858100    
 H   -8.924700       2.158000       1.216900    
 H    10.26260      0.7718000     -0.8215000    
 H    8.075500      -1.620500      -1.349800    
 H    8.054300      -1.985800      0.3845000    
 H    9.589700      -1.674500     -0.4307000    
 H    9.506000       3.092300     -0.1214000    


%chk=000158842-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158842

0 1
S 4.653906 -0.661173 -0.827945
O -6.051029 1.222995 2.313242
O -6.207340 3.249714 1.038443
O 5.362046 -1.967794 -0.021031
O -3.453679 -2.993720 0.889966
N 1.200834 -2.714415 0.244080
N -1.156821 -2.832445 0.510222
N -0.193982 -1.655630 -1.333034
N 8.554182 1.846236 -0.005122
N 6.518377 2.657048 -0.542015
C -4.047402 -1.395044 -1.551914
C 2.776641 -0.854429 -0.319119
C -4.615824 -0.129213 -0.902526
C 2.418503 -2.338516 -0.493177
C 5.044470 0.851129 0.402225
C -2.652188 -1.757959 -1.067551
C 6.380449 1.423966 0.136114
C -5.042368 -0.165047 0.460942
C -5.535339 1.020955 1.003769
C -0.056614 -2.384456 -0.213038
C -5.628118 2.214658 0.255425
C -4.716352 1.072224 -1.647592
C 7.641548 0.895787 0.472842
C -2.518598 -2.546857 0.153087
C -5.229319 2.273072 -1.080182
C -1.491199 -1.373764 -1.733505
C -6.298466 2.684018 2.410484
C 8.049351 -0.373851 1.162985
C 7.840222 2.882948 -0.605755
H -4.022759 -1.261110 -2.648918
H -4.716613 -2.248667 -1.334720
H 2.722401 -0.545111 0.738559
H 2.188576 -0.184588 -0.964261
H 2.272194 -2.568092 -1.562471
H 3.263596 -2.942547 -0.108829
H 4.940471 0.346502 1.376254
H 4.250274 1.592624 0.224929
H -4.974978 -1.089999 1.041059
H 1.301465 -3.247312 1.107329
H -4.391902 1.081376 -2.694514
H -5.313953 3.194755 -1.661465
H -1.053527 -3.405374 1.355098
H -1.561855 -0.788946 -2.658235
H -5.512812 3.142451 3.041509
H -7.314676 2.851165 2.800114
H 9.568791 1.774672 0.069028
H 8.874413 -0.878652 0.626360
H 7.199788 -1.078638 1.169086
H 8.383607 -0.191971 2.202801
H 8.314507 3.750422 -1.058232


