%chk=000217754.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217754

0 1
S -1.557446 -2.272618 0.140291
O -1.156002 2.596281 -0.097604
N -1.186763 0.313081 -0.070833
N 0.833054 -1.027363 -0.100633
C 1.661029 0.186338 -0.297952
C 0.971230 1.485472 0.196660
C -2.667838 0.180063 -0.164121
C -0.441107 -0.907990 -0.024028
C -0.523879 1.563712 -0.018122
C 3.008807 -0.009194 0.429543
C -3.051141 -1.227486 0.287858
C 3.893310 -1.023462 -0.288221
H 1.844572 0.276018 -1.404859
H 1.446027 2.367472 -0.283954
H 1.151249 1.625894 1.286995
H -2.983906 0.372013 -1.216188
H -3.145175 0.966731 0.466100
H 2.827052 -0.346973 1.470512
H 3.534934 0.962079 0.504215
H -3.403751 -1.246133 1.336226
H -3.853056 -1.659731 -0.338106
H 3.374218 -1.987877 -0.396781
H 4.172609 -0.689053 -1.292830
H 4.816873 -1.210073 0.270432


%chk=000217754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217754

0 1
S -1.571919 -2.347608 0.136007
O -1.197807 2.629574 -0.073010
N -1.170853 0.299233 -0.113178
N 0.865788 -1.029317 0.005640
C 1.646154 0.233297 -0.207190
C 0.929015 1.461033 0.415299
C -2.618579 0.145350 -0.370486
C -0.419495 -0.915000 0.007129
C -0.551119 1.552414 0.043360
C 3.071084 0.050236 0.357682
C -3.046426 -1.159401 0.330553
C 3.853219 -1.067852 -0.358876
H 1.723846 0.381639 -1.307807
H 1.410620 2.404898 0.111501
H 0.994652 1.396906 1.521495
H -2.801208 0.085238 -1.459819
H -3.146742 1.028908 0.023816
H 2.988634 -0.181259 1.437806
H 3.612806 1.013296 0.269020
H -3.232155 -1.014055 1.405415
H -3.920318 -1.620504 -0.151722
H 3.286590 -2.013472 -0.311096
H 4.017044 -0.820674 -1.425060
H 4.842069 -1.225678 0.108122


