%chk=000146577.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146577

0 1
 S   -3.669800       1.519200      0.1896000    
 O   -5.180700       1.869300     -0.3164000    
 O    3.715500       3.235100      -1.038100    
 O   -2.761300       2.383000     -0.5415000    
 O   -3.686000       1.532300       1.641000    
 N   -1.661700      -1.888200     -0.2129000    
 N   -1.025300      0.2389000     -0.1297000    
 N   -3.428200     -0.1206000     -0.3368000    
 N    1.769400       1.045000      0.1152000    
 N    3.705200     -0.9764000      0.2494000    
 C  -0.2959000      -1.917700     -9.8499998E-02
 C   7.9499997E-02 -0.5798000     -4.8000000E-02
 C    1.447000     -0.2661000      7.0400000E-02
 C   -2.050200     -0.5778000     -0.2271000    
 C   0.6183000      -2.966400     -3.6899999E-02
 C    2.403300      -1.293900      0.1360000    
 C    1.971200      -2.618600      8.1299998E-02
 C   -2.535200      -3.035700     -0.3029000    
 C    3.079200       1.325700      0.2290000    
 C    4.028900      0.3335000      0.2948000    
 C    3.476800       2.759400      0.2819000    
 H   0.3137000      -4.006000     -7.4500002E-02
 H    2.705800      -3.421300      0.1321000    
 H   -3.324100      -2.827000      -1.030100    
 H   -1.971900      -3.909700     -0.6360000    
 H   -2.963100      -3.214500      0.6866000    
 H   -4.141500     -0.8123000     -7.4800000E-02
 H    5.087700      0.5468000      0.3849000    
 H    2.676300       3.359500      0.7276000    
 H    4.381900       2.900500      0.8823000    
 H   -5.886900       1.267700      1.7700000E-02
 H    3.964400       4.172100     -0.9622000    


%chk=000146577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146577

0 1
S -4.469347 0.640339 -0.732143
O -5.663942 -0.795569 -0.444865
O 5.521899 2.555446 0.422207
O -3.380876 0.088826 -1.818504
O -5.428215 1.883071 -1.187272
N -1.777980 -1.439449 0.323908
N -0.829927 0.606946 0.913037
N -3.229894 0.192857 1.320209
N 2.132297 1.189047 0.567242
N 3.650836 -0.916546 -0.659094
C -0.450637 -1.502299 -0.007508
C 0.123866 -0.220709 0.397582
C 1.538558 0.010106 0.194272
C -2.009774 -0.143558 0.885641
C 0.310302 -2.537622 -0.622188
C 2.295947 -1.056150 -0.425375
C 1.666186 -2.300427 -0.820162
C -2.817312 -2.447022 0.073835
C 3.463274 1.307578 0.324426
C 4.219316 0.255334 -0.284442
C 4.094026 2.618729 0.735826
H -0.152637 -3.478120 -0.933471
H 2.314839 -3.048506 -1.286301
H -3.722619 -2.157061 0.627174
H -3.068169 -2.466339 -1.000445
H -2.469738 -3.438670 0.409274
H -3.227896 1.148396 1.732209
H 5.288911 0.385759 -0.458986
H 3.583152 3.440658 0.190886
H 3.913196 2.771653 1.820910
H -6.529755 -0.504185 -0.856945
H 5.954412 3.413486 0.652465


