%chk=000209208.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209208

1 1
S 1.886829 0.824199 -1.809917
N 2.134204 0.356189 0.707350
N -4.413188 -0.110313 0.066789
C 3.580488 0.446440 0.259867
C 3.578502 1.006967 -1.166119
C 4.244485 -0.940230 0.359232
C 1.189098 0.453353 -0.236114
C 1.866327 0.157373 2.146001
C -0.220930 0.312913 -0.128397
C 5.758307 -0.833001 0.229257
C -1.083442 1.121494 -0.928349
C -0.826390 -0.655852 0.722921
C -3.058723 0.022633 -0.000528
C -2.448248 0.996193 -0.865603
C -2.188335 -0.806400 0.791352
C -5.320205 0.725177 -0.752374
C -5.056680 -1.107847 0.951155
H 4.098444 1.165282 0.954073
H 3.882634 2.073274 -1.198055
H 4.285628 0.466107 -1.831678
H 3.843292 -1.624304 -0.417819
H 3.995530 -1.419929 1.328898
H 2.643244 0.651420 2.761328
H 1.856761 -0.916286 2.413203
H 0.892569 0.600624 2.438416
H 6.073173 -0.412023 -0.733429
H 6.206117 -0.218931 1.021131
H 6.227452 -1.826544 0.302096
H -0.649617 1.878481 -1.591116
H -0.188129 -1.319022 1.312261
H -3.072024 1.643566 -1.480691
H -2.611006 -1.570014 1.442134
H -5.138298 0.571721 -1.833028
H -5.193873 1.799175 -0.518324
H -6.378964 0.472774 -0.561515
H -4.760018 -2.137428 0.675180
H -6.158253 -1.056070 0.877792
H -4.792962 -0.931362 2.010819


%chk=000209208-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209208

1 1
S 1.995774 0.992261 -1.766171
N 2.169176 0.442376 0.813950
N -4.410925 -0.172249 0.036585
C 3.612195 0.428850 0.371396
C 3.663508 1.293948 -0.906288
C 4.109428 -1.027654 0.179080
C 1.243980 0.566028 -0.171469
C 1.880231 0.327234 2.259432
C -0.181603 0.386088 -0.075677
C 5.638527 -1.112380 -0.017065
C -1.053889 1.069066 -0.990429
C -0.792964 -0.518603 0.859156
C -3.046793 0.000936 -0.005942
C -2.433823 0.896520 -0.955883
C -2.171274 -0.712723 0.891123
C -5.289195 0.549835 -0.909865
C -5.022352 -1.091221 1.020898
H 4.208860 0.913291 1.167033
H 3.741034 2.370671 -0.694757
H 4.459767 0.978921 -1.594373
H 3.583005 -1.482646 -0.681970
H 3.830599 -1.615081 1.074821
H 2.630352 0.913247 2.816081
H 1.928841 -0.721187 2.604666
H 0.881819 0.734980 2.477519
H 5.977984 -0.579261 -0.923474
H 6.181481 -0.690890 0.848926
H 5.949924 -2.165247 -0.124578
H -0.628075 1.772029 -1.715459
H -0.172658 -1.125241 1.525246
H -3.051233 1.458893 -1.659512
H -2.582463 -1.437726 1.596961
H -5.058370 0.282958 -1.957980
H -5.191729 1.645146 -0.791613
H -6.336045 0.278874 -0.713031
H -4.696494 -2.135476 0.855228
H -6.116270 -1.056708 0.919739
H -4.766532 -0.798060 2.055892


