%chk=000153476.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153476

0 1
 S   9.8999999E-03  -1.840500     -3.3900000E-02
 O  -0.1830000      -2.632000       1.165400    
 O  -4.8400000E-02  -2.420700      -1.361300    
 O   0.7909000       2.416900      0.3676000    
 O   -6.040500       1.671300     -7.0900001E-02
 N   -4.875400     -0.3758000     -0.1753000    
 C    1.584100      -1.098900      0.1119000    
 C    1.720200      0.2789000      0.2353000    
 C   -1.196400     -0.5787000      7.3000002E-03
 C  -0.8346000      0.7569000      0.1388000    
 C   0.5705000       1.213400      0.2530000    
 C    4.133100     -2.8000001E-02  0.3384000    
 C    3.014400      0.8099000      0.3495000    
 C    2.696300      -1.945800      0.1002000    
 C    5.501000      0.5553000      0.4590000    
 C   -2.535300     -0.9670000     -9.7499996E-02
 C    3.973900      -1.405300      0.2138000    
 C   -1.854400       1.720700      0.1651000    
 C   -3.536100     -1.9999999E-04 -7.0299998E-02
 C    6.107900      0.9003000     -0.9080000    
 C   -3.196000       1.343300      6.1000001E-02
 C    7.487500       1.525500     -0.7756000    
 C   -6.008500      0.4488000     -0.1684000    
 C   -7.281400     -0.3485000     -0.3052000    
 H    3.166200       1.883000      0.4458000    
 H    2.580500      -3.021700      2.9000000E-03
 H    5.464900       1.454900       1.087200    
 H    6.157900     -0.1459000      0.9900000    
 H   -2.794900      -2.018100     -0.2000000    
 H    4.836000      -2.066700      0.2020000    
 H   -1.627300       2.779500      0.2664000    
 H    6.181000     -4.3000001E-03  -1.524100    
 H    5.451300       1.596000      -1.444900    
 H   -3.913300       2.151900      9.0599999E-02
 H    7.442800       2.454200     -0.1979000    
 H    8.180600      0.8419000     -0.2751000    
 H    7.894700       1.759200      -1.764200    
 H   -5.040000      -1.376000     -0.2682000    
 H   -7.284300     -0.8780000      -1.262000    
 H   -8.144600      0.3217000     -0.2667000    
 H   -7.356900      -1.070500      0.5127000    


%chk=000153476-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153476

0 1
S 0.001423 -1.897245 -0.687498
O -0.332674 -3.163616 0.296154
O 0.065150 -2.170810 -2.297850
O 0.825144 2.549225 -0.566885
O -6.105599 1.620008 0.189435
N -4.921397 -0.402486 0.032041
C 1.595999 -1.059300 -0.147549
C 1.711604 0.350514 -0.174170
C -1.246983 -0.519943 -0.364182
C -0.839646 0.834667 -0.369018
C 0.577030 1.312344 -0.414292
C 4.102627 0.078150 0.424077
C 2.989876 0.894426 0.116474
C 2.664663 -1.908958 0.174233
C 5.472888 0.688183 0.660170
C -2.572586 -0.933299 -0.231256
C 3.918054 -1.330555 0.467355
C -1.881014 1.797860 -0.255560
C -3.590253 0.053382 -0.107546
C 6.299654 0.789568 -0.655311
C -3.230376 1.433224 -0.133431
C 7.692393 1.410466 -0.422511
C -6.097371 0.357693 0.169357
C -7.373709 -0.467668 0.287746
H 3.079985 1.986534 0.098531
H 2.515645 -2.993190 0.203354
H 5.371186 1.702215 1.091880
H 6.042682 0.080351 1.389729
H -2.807046 -2.004795 -0.215645
H 4.762863 -1.978422 0.728194
H -1.588213 2.852753 -0.258591
H 6.405140 -0.221065 -1.096573
H 5.733967 1.393669 -1.391145
H -4.013413 2.187446 -0.045022
H 7.608959 2.433572 -0.010208
H 8.284794 0.807296 0.291047
H 8.262689 1.473129 -1.366744
H -5.042088 -1.418181 0.031257
H -8.038811 -0.220701 -0.557862
H -7.902162 -0.177180 1.211577
H -7.206774 -1.558361 0.300634


