%chk=000218578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218578

0 1
S -1.028212 1.481199 0.604445
N -0.901047 -1.180684 0.697162
C 1.269407 -0.040154 0.000350
C 0.005928 -0.039365 0.910159
C -1.927850 -0.856182 -0.334294
C 2.044063 -1.343967 0.279804
C 0.932099 0.044401 -1.494107
C 2.145918 1.163769 0.397030
C -2.410036 0.590768 -0.186320
H 0.335267 -0.000339 1.978400
H -1.362404 -1.432029 1.580813
H -2.766237 -1.578760 -0.263358
H -1.456496 -1.008413 -1.336805
H 1.426704 -2.222151 0.048519
H 2.949163 -1.406906 -0.331206
H 2.346917 -1.425243 1.327227
H 0.430465 0.986130 -1.745710
H 0.273389 -0.778132 -1.802148
H 1.837529 -0.013545 -2.106775
H 2.404474 1.156596 1.459744
H 3.087032 1.161092 -0.163721
H 1.652293 2.118961 0.180616
H -2.641149 1.058719 -1.157527
H -3.308116 0.677836 0.447902


%chk=000218578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218578

0 1
S -1.036582 1.612439 0.584786
N -0.943193 -1.158936 0.556341
C 1.308251 -0.067401 -0.021919
C -0.002891 -0.074660 0.822821
C -1.994063 -0.767176 -0.413061
C 2.103015 -1.348498 0.363392
C 1.045535 -0.073102 -1.547007
C 2.139808 1.185271 0.358398
C -2.539572 0.638705 -0.023774
H 0.283538 -0.090404 1.890755
H -1.362426 -1.513604 1.425757
H -2.796381 -1.526780 -0.410888
H -1.566711 -0.722754 -1.427234
H 1.501839 -2.250869 0.155794
H 3.041285 -1.404089 -0.219311
H 2.370649 -1.348005 1.437977
H 0.411346 0.783069 -1.840914
H 0.557491 -1.013161 -1.861636
H 2.005533 0.005113 -2.090590
H 2.326572 1.230250 1.448837
H 3.120264 1.158097 -0.152256
H 1.620986 2.113744 0.058019
H -2.969307 1.166411 -0.890825
H -3.285883 0.579942 0.786739


