%chk=000268618.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268618

0 1
S 3.660937 -0.377259 0.182372
O -2.927088 1.653137 0.021115
N -3.718405 -0.238446 -0.913637
N -1.550324 -2.692431 0.372354
C 0.831152 2.617007 0.566304
C -0.112282 1.988003 -0.469751
C 2.261934 2.055208 0.470487
C -0.187475 0.492450 -0.286810
C 1.134983 -0.134185 -0.211287
C 2.234645 0.610252 0.163636
C 1.478874 -1.507087 -0.524366
C -1.369524 -0.179444 -0.189441
C 2.796971 -1.790582 -0.357773
C -2.697865 0.501802 -0.321745
C -1.448329 -1.568124 0.113223
H 0.425744 2.438998 1.584118
H 0.847139 3.715809 0.433770
H 0.233401 2.212105 -1.501113
H -1.115228 2.475282 -0.379096
H 2.810175 2.260732 1.415279
H 2.827492 2.594925 -0.323645
H 0.745063 -2.221937 -0.878419
H 3.304510 -2.727070 -0.515749
H -3.631003 -1.203744 -1.177976
H -4.643496 0.161899 -0.975250


%chk=000268618-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268618

0 1
S 3.778815 -0.337656 0.117036
O -2.869459 1.779408 -0.803443
N -3.824550 -0.317902 -0.712409
N -1.644172 -2.771251 -0.734792
C 0.977678 2.617638 0.735560
C -0.189195 2.043101 -0.091794
C 2.337107 2.148855 0.176396
C -0.185338 0.518877 -0.225011
C 1.130940 -0.135078 -0.102186
C 2.289929 0.652596 0.053311
C 1.454057 -1.559980 -0.160460
C -1.380088 -0.165239 -0.486579
C 2.796358 -1.837058 -0.060506
C -2.723633 0.521988 -0.674448
C -1.453226 -1.591937 -0.615917
H 0.886031 2.295925 1.790566
H 0.919148 3.721181 0.720570
H -0.162843 2.470509 -1.116912
H -1.156179 2.379510 0.309913
H 3.171734 2.469696 0.826218
H 2.512397 2.608447 -0.819305
H 0.720920 -2.356306 -0.268188
H 3.297674 -2.802458 -0.072240
H -3.758157 -1.331450 -0.625110
H -4.733945 0.115882 -0.863670


