%chk=000267696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267696

0 1
S 2.252414 -1.266160 0.024547
N 0.817661 0.984750 0.001837
N -1.643518 1.055646 -0.010422
N -0.568428 -2.534195 0.070897
N -2.905148 -0.917806 -0.080827
N -0.364862 3.039748 0.107310
C -0.451575 -1.096957 0.025233
C 0.743307 -0.367436 0.017683
C -1.667028 -0.325412 -0.008124
C -0.401421 1.655975 0.014234
C 3.550427 -0.017189 0.057860
H -0.154508 -2.947949 -0.764820
H -0.063845 -2.903935 0.876886
H -3.740474 -0.360442 -0.005385
H -2.982573 -1.920110 0.025342
H 4.517282 -0.532544 0.098379
H 3.453958 0.641355 0.932843
H 3.516693 0.622424 -0.834902
H 0.508089 3.512458 -0.071443
H -1.212750 3.557781 -0.070128


%chk=000267696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267696

0 1
S 2.303625 -1.343317 0.053892
N 0.821645 0.988365 0.014262
N -1.629462 1.075696 -0.017393
N -0.577408 -2.527217 0.040143
N -2.878173 -0.921870 -0.000730
N -0.335442 3.023958 -0.026968
C -0.464252 -1.091401 0.019059
C 0.749497 -0.368887 0.025706
C -1.658922 -0.294209 0.000397
C -0.386817 1.646897 -0.009648
C 3.565142 0.051742 0.071250
H -0.288586 -3.000300 -0.823293
H -0.186751 -2.980382 0.873404
H -3.731223 -0.369948 -0.002553
H -2.875668 -1.941309 0.034995
H 4.549099 -0.442716 0.087087
H 3.417685 0.671310 0.966398
H 3.444838 0.668344 -0.829938
H 0.568990 3.485464 -0.022873
H -1.204116 3.549779 -0.046198


