%chk=000134041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134041

0 1
 S   -2.649500      -1.655400     -0.5270000    
 O   -3.177000      -2.689100      0.3526000    
 O   -2.628800      -1.869300      -1.966500    
 O   -5.960800       3.106000      0.5416000    
 O    6.684700       1.209200     -0.6479000    
 O    5.791500      0.3536000       1.273000    
 N    2.265000      4.4100001E-02  -1.217500    
 N    2.941000     -0.3829000      0.8563000    
 N    4.521800      0.5681000     -0.6936000    
 C   -1.002100      -1.298000     -6.1600000E-02
 C    1.172300     -0.4819000     -0.5773000    
 C  -0.1293000     -0.7460000      -1.005000    
 C    1.619700     -0.7402000      0.7153000    
 C   -3.644500     -0.2250000     -0.2055000    
 C  -0.5826000      -1.568100       1.242900    
 C   0.7293000      -1.294700       1.650100    
 C    3.295700      8.2999997E-02 -0.3202000    
 C   -3.795400      0.7251000      -1.198100    
 C   -4.248400     -9.0000004E-02   1.030700    
 C   -4.578300       1.851600     -0.9453000    
 C   -5.031400       1.036400       1.283400    
 C   -5.196300       2.007000      0.2953000    
 C    5.667000      0.6740000      9.7499996E-02
 C    7.936200       1.382500      2.7000001E-02
 H  -0.4339000     -0.5201000      -2.020600    
 H   -1.268100      -1.990900       1.973200    
 H    1.045400      -1.506800       2.666400    
 H    2.302100      0.3489000      -2.181000    
 H   -3.316400      0.6245000      -2.167000    
 H   -4.125200     -0.8287000       1.816500    
 H   -4.697500       2.601500      -1.722700    
 H   -5.508800       1.153300       2.252500    
 H    4.604800      0.8864000      -1.655900    
 H   -5.965000       3.670800     -0.2503000    
 H    8.320400      0.4157000      0.3656000    
 H    8.647400       1.814000     -0.6823000    
 H    7.819400       2.070500      0.8697000    


%chk=000134041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134041

0 1
S -2.553781 -1.292634 -1.193964
O -3.278911 -2.710863 -0.811853
O -2.269723 -0.805291 -2.735103
O -5.972987 2.999641 1.378469
O 6.766190 0.981682 0.041404
O 4.897385 1.272785 -1.369454
N 2.632451 -0.013503 -0.511657
N 2.892081 -1.197895 1.440521
N 4.816216 -0.024377 0.590297
C -0.880389 -1.271909 -0.311886
C 1.380666 -0.588763 -0.244900
C 0.151351 -0.544862 -0.925269
C 1.563218 -1.328490 0.981278
C -3.583152 0.069583 -0.386943
C -0.751316 -2.034430 0.871314
C 0.491193 -2.063215 1.537126
C 3.476380 -0.411868 0.520764
C -3.569493 1.346108 -0.969315
C -4.379334 -0.262555 0.723667
C -4.368381 2.353570 -0.388407
C -5.174615 0.744836 1.302127
C -5.159693 2.049379 0.749077
C 5.445624 0.786591 -0.341971
C 7.603680 1.795073 -0.872228
H -0.016140 -0.025837 -1.874270
H -1.604389 -2.617153 1.232981
H 0.633997 -2.643330 2.452556
H 2.941902 0.580714 -1.287077
H -2.972776 1.534421 -1.867726
H -4.396261 -1.289785 1.101947
H -4.381035 3.360965 -0.822734
H -5.813879 0.542963 2.165677
H 5.349301 -0.373323 1.389796
H -5.916363 3.878458 0.927370
H 6.971116 2.470715 -1.470138
H 8.289965 2.356687 -0.222803
H 8.164303 1.115016 -1.534374


