%chk=000273591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273591

0 1
S 2.955780 -1.329600 -0.000255
N 0.264524 -1.042348 0.000288
N -1.149413 0.898042 -0.000168
C 1.475221 -0.345326 0.000140
C -1.021931 -0.468271 -0.000022
C 1.795129 0.980982 0.000287
C -2.147859 -1.338989 -0.000032
C 3.221078 1.213919 0.000092
C -3.416511 -0.769773 -0.000157
C 3.978331 0.087174 -0.000155
C -3.561606 0.623983 -0.000299
C -2.404968 1.414618 -0.000282
H 0.310237 -2.062780 0.000219
H 1.076527 1.794367 0.000510
H -2.024323 -2.416473 0.000050
H 3.616791 2.222959 0.000157
H -4.300161 -1.409833 -0.000184
H 5.048266 -0.009001 -0.000325
H -4.545377 1.081634 -0.000419
H -2.459735 2.510917 -0.000444


%chk=000273591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273591

0 1
S 2.995133 -1.390252 -0.000053
N 0.257215 -1.023275 0.000056
N -1.153322 0.898124 -0.000097
C 1.491328 -0.356403 0.000037
C -1.026532 -0.463311 -0.000041
C 1.810021 0.996460 0.000059
C -2.156431 -1.340721 -0.000064
C 3.232799 1.238872 0.000042
C -3.442579 -0.779453 -0.000153
C 4.014827 0.098557 0.000021
C -3.589211 0.633122 -0.000220
C -2.417058 1.415144 -0.000188
H 0.287506 -2.043691 0.000141
H 1.036605 1.762331 0.000083
H -2.018402 -2.428289 -0.000018
H 3.661720 2.244385 0.000070
H -4.322764 -1.431015 -0.000174
H 5.096990 -0.011058 0.000028
H -4.574609 1.106736 -0.000292
H -2.473235 2.509938 -0.000237


