%chk=000299316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299316

0 1
S -1.013756 -0.713805 -0.000751
O -4.655585 0.601943 0.001184
O -3.699116 -1.457768 0.000712
N 1.697260 -0.230109 -0.000124
N 0.431983 1.652595 -0.001119
N 4.476820 -0.616374 0.001456
C 2.587959 0.894399 -0.000209
C 0.402281 0.290619 -0.000826
C 1.761154 2.033637 -0.001372
C 2.209526 -1.538075 0.000860
C 3.997424 0.614717 0.000780
C -2.321371 0.542057 -0.002422
C 3.572947 -1.688881 0.001554
C -3.581059 -0.256612 0.000000
C -5.974982 -0.009704 0.003388
H 2.056014 3.070132 -0.001756
H 1.499306 -2.368021 0.000896
H 4.705251 1.455295 0.000315
H -2.246228 1.224719 0.874975
H -2.247420 1.221028 -0.882748
H 4.046569 -2.677754 0.002250
H -6.096227 -0.618415 0.904883
H -6.098906 -0.619129 -0.897260
H -6.638345 0.862206 0.004032


%chk=000299316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299316

0 1
S -0.963102 -0.958706 0.001218
O -4.651811 0.672931 0.001524
O -3.893618 -1.536132 0.000383
N 1.750657 -0.258173 0.000278
N 0.378296 1.543081 -0.000988
N 4.570736 -0.518190 -0.000011
C 2.590351 0.915910 -0.000761
C 0.435955 0.185857 0.000169
C 1.690181 2.001078 -0.001313
C 2.325788 -1.533650 0.001139
C 4.002980 0.700702 -0.000833
C -2.302021 0.368490 0.000028
C 3.705732 -1.623119 0.000960
C -3.661229 -0.307404 0.000633
C -6.049701 0.171936 0.001864
H 1.917531 3.064003 -0.002115
H 1.656135 -2.395555 0.001885
H 4.675864 1.565157 -0.001564
H -2.177345 1.008219 0.887170
H -2.177391 1.006438 -0.888428
H 4.188151 -2.603215 0.001610
H -6.234115 -0.439666 0.901129
H -6.234876 -0.438769 -0.897856
H -6.671648 1.077476 0.002577


