%chk=000227305.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227305

0 1
 S   0.3512000      -2.407700      0.1826000    
 O  -0.2093000      -3.721600     -9.7400002E-02
 O   0.6387000      -2.019400       1.554300    
 O    5.834100       2.085500       1.394200    
 O    5.241000       3.231400     -0.4770000    
 N    1.739700      -2.207700     -0.8123000    
 C   -3.095200     -0.1614000     -0.4227000    
 C   -4.460000     -0.1858000      0.2683000    
 C   -2.088100      -1.151400      0.1728000    
 C   -5.390500      0.8844000     -0.3072000    
 C  -0.7339000      -1.209200     -0.5211000    
 C   -6.767300      0.8416000      0.3580000    
 C   -7.706500       1.888500     -0.2407000    
 C   -9.065800       1.872000      0.4403000    
 C    2.598000      -1.084100     -0.5461000    
 C    2.635400     -9.3999999E-03  -1.434500    
 C    3.393000      -1.069700      0.6000000    
 C    3.467700       1.079800      -1.176700    
 C    4.225300      1.9500000E-02  0.8578000    
 C    4.262700       1.094300     -3.0600000E-02
 C    5.129900       2.230300      0.2382000    
 H   -3.227300     -0.3837000      -1.488800    
 H   -2.672100      0.8489000     -0.3606000    
 H   -4.912300      -1.177500      0.1478000    
 H   -4.329900     -1.7500000E-02   1.344100    
 H   -1.938100     -0.9061000       1.232000    
 H   -2.536400      -2.153100      0.1585000    
 H   -5.500900      0.7305000      -1.387500    
 H   -4.944000       1.876200     -0.1657000    
 H  -0.8622000      -1.462300      -1.578500    
 H  -0.2481000     -0.2316000     -0.4475000    
 H   -6.658700       1.016200       1.435400    
 H   -7.205700     -0.1562000      0.2349000    
 H   -7.265900       2.887000     -0.1370000    
 H   -7.837800       1.701500      -1.312800    
 H    1.588400      -2.382300      -1.815000    
 H   -9.548200      0.8957000      0.3292000    
 H   -8.972000       2.089700       1.509000    
 H   -9.721400       2.627500     -3.8999999E-03
 H    2.019100     -9.7000003E-03  -2.329900    
 H    3.384200      -1.905700       1.294400    
 H    3.481900       1.907500      -1.881000    
 H    4.829400     -1.1700000E-02   1.760100    
 H    6.415200       2.856900       1.566500    


%chk=000227305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227305

0 1
S 0.329222 -1.393637 -0.232508
O 0.009121 -2.952732 -0.590811
O 0.702965 -0.932864 1.282197
O 6.708325 2.054049 1.462827
O 7.898457 0.411146 0.330632
N 1.743249 -0.758012 -1.506193
C -3.597044 0.230268 -0.536809
C -4.895591 -0.087099 0.240587
C -2.407834 -0.645564 -0.062521
C -6.091530 0.784832 -0.203398
C -1.143982 -0.309037 -0.852157
C -7.393117 0.467814 0.567435
C -8.588770 1.345456 0.131726
C -9.886211 1.020698 0.903146
C 2.979824 -0.380857 -0.927363
C 4.186300 -1.065134 -1.266510
C 3.033742 0.737836 -0.045920
C 5.418585 -0.609522 -0.774773
C 4.266188 1.170931 0.466592
C 5.469086 0.509040 0.099560
C 6.793836 0.942436 0.605950
H -3.770399 0.071623 -1.620921
H -3.345506 1.302938 -0.408159
H -5.150820 -1.158356 0.106167
H -4.717800 0.058341 1.326021
H -2.232127 -0.475814 1.016997
H -2.658596 -1.715298 -0.194766
H -6.267068 0.643853 -1.290521
H -5.836926 1.856512 -0.065110
H -1.202620 -0.553613 -1.924985
H -0.773655 0.717577 -0.701918
H -7.218618 0.602746 1.655437
H -7.653868 -0.601782 0.425054
H -8.328243 2.413836 0.277096
H -8.760881 1.212741 -0.956067
H 1.831914 -1.589402 -2.124529
H -10.185824 -0.033125 0.748795
H -9.749923 1.173836 1.990435
H -10.724639 1.661808 0.574328
H 4.145014 -1.942817 -1.922986
H 2.108405 1.252899 0.226069
H 6.353963 -1.113112 -1.038872
H 4.315710 2.025847 1.145944
H 7.624984 2.288811 1.768702


