%chk=000065077.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065077

0 1
 S   -3.164300     -0.2077000     -8.8399999E-02
 O   -4.064000      0.7747000     -0.6677000    
 O   -3.070000      -1.540400     -0.6585000    
 N    3.332000      0.1499000      2.7000001E-02
 N   -3.482300     -0.3395000       1.583000    
 C   0.8779000      0.3442000     -1.4900000E-02
 C  -0.3846000     -0.2951000     -3.9700001E-02
 C    2.043700     -0.4386000      1.6000000E-03
 C   -1.550500      0.4877000     -5.6600001E-02
 C   0.9372000       1.747300     -7.4999998E-03
 C  -0.4439000      -1.698100     -4.7499999E-02
 C    1.966200      -1.831600     -6.3000000E-03
 C   -1.472800       1.880700     -4.8999999E-02
 C   0.7247000      -2.460100     -3.0900000E-02
 C  -0.2314000       2.509300     -2.4499999E-02
 C    4.015800      0.4581000      -1.209600    
 C    3.966100      0.4591000       1.289600    
 H    1.883900       2.281400      1.3900000E-02
 H   -1.328300      -2.303200      5.0999999E-02
 H    2.868200      -2.438200      1.2300000E-02
 H   -2.362500       2.503900     -5.0799999E-02
 H   0.6673000      -3.544800     -1.1300000E-02
 H  -0.1716000       3.593800     -1.5600000E-02
 H    3.538000       1.302900      -1.716200    
 H    4.002300     -0.4024000      -1.887600    
 H    5.065700      0.7194000      -1.039300    
 H    4.350900     -0.4549000       1.753700    
 H    3.260100      0.9265000       1.984600    
 H    4.804300       1.152700       1.163900    
 H   -4.176200      0.2998000       1.989300    
 H   -3.493200      -1.280900       1.994300    


%chk=000065077-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065077

0 1
S -3.325205 -0.084884 0.173404
O -4.350391 1.179054 0.287889
O -3.590795 -1.260945 -0.921264
N 3.346746 0.315615 -0.128958
N -3.254630 -0.994938 1.775711
C 0.863778 0.473108 -0.115750
C -0.426439 -0.205140 -0.111225
C 2.079809 -0.320651 -0.223686
C -1.570755 0.639256 0.066920
C 0.898593 1.904316 -0.080553
C -0.491340 -1.619394 -0.323865
C 1.963841 -1.702194 -0.472412
C -1.531482 2.025795 0.152190
C 0.689816 -2.333444 -0.532985
C -0.263794 2.669037 0.044341
C 4.509019 -0.351874 -0.735465
C 3.692800 1.058932 1.105324
H 1.863745 2.403340 -0.205895
H -1.460917 -2.121353 -0.358728
H 2.863215 -2.315193 -0.581848
H -2.461056 2.593475 0.264609
H 0.642330 -3.412017 -0.719402
H -0.212048 3.762067 0.046862
H 4.250234 -0.729886 -1.738396
H 4.899260 -1.199498 -0.124949
H 5.325421 0.384723 -0.844696
H 4.261053 0.413084 1.811801
H 2.784711 1.400558 1.622807
H 4.317555 1.940853 0.868163
H -3.507406 -0.354194 2.546609
H -3.896968 -1.801709 1.695745


