%chk=000249846.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249846

0 1
O 5.276086 -0.932234 0.456544
N -2.116179 1.049738 -0.463475
N -0.842020 0.590161 -0.217494
C 1.521763 0.726421 -0.166853
C 0.198267 1.368891 -0.357689
C 2.453247 1.292222 0.726917
C 1.847634 -0.443700 -0.866099
C 4.009697 -0.464908 0.184979
C 3.698796 0.707142 0.908786
C 3.097613 -1.048777 -0.701434
C -3.181200 0.178953 -0.050774
C 0.189327 2.831767 -0.690931
C -4.466302 0.745933 0.079239
C -2.992070 -1.205068 0.130176
C -5.550320 -0.082144 0.376240
C -4.089236 -2.009636 0.431845
C -5.369690 -1.456380 0.554920
C 5.708517 -2.143119 -0.209430
H 2.191342 2.191552 1.284797
H 1.116600 -0.889652 -1.544011
H 4.433638 1.123138 1.593795
H 3.336067 -1.952114 -1.251724
H -0.232599 3.432896 0.124976
H 1.201249 3.216411 -0.884509
H -0.392855 3.031992 -1.602398
H -2.307523 2.054368 -0.351053
H -4.623222 1.811504 -0.057317
H -1.994493 -1.635511 0.035439
H -6.545235 0.351479 0.471635
H -3.946939 -3.080850 0.572723
H -6.218192 -2.093319 0.788772
H 5.734949 -1.992513 -1.292306
H 5.065257 -2.981964 0.071523
H 6.721127 -2.271578 0.194990


%chk=000249846-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249846

0 1
O 5.508651 -0.854939 -0.025014
N -2.076656 1.040322 -0.041277
N -0.794591 0.546610 -0.026133
C 1.585871 0.810372 -0.066708
C 0.224861 1.400440 -0.072966
C 2.756065 1.591840 0.165017
C 1.766356 -0.585456 -0.287395
C 4.189239 -0.377095 -0.050405
C 4.037142 1.012213 0.174220
C 3.041485 -1.180160 -0.281772
C -3.185158 0.170655 0.012774
C 0.010585 2.905497 -0.141098
C -4.492582 0.728502 -0.028980
C -3.022821 -1.237610 0.109422
C -5.621437 -0.114556 0.024719
C -4.162435 -2.065780 0.161403
C -5.467418 -1.517908 0.119711
C 5.712439 -2.289727 -0.238067
H 2.678539 2.666119 0.362189
H 0.878137 -1.197626 -0.468854
H 4.931453 1.615238 0.358300
H 3.131886 -2.255717 -0.462637
H -0.460188 3.295036 0.784938
H 0.951281 3.452002 -0.291780
H -0.651263 3.173223 -0.990961
H -2.260324 2.050029 -0.082651
H -4.623032 1.816253 -0.104310
H -2.012224 -1.650836 0.145456
H -6.623950 0.327124 -0.008509
H -4.029885 -3.151397 0.236794
H -6.345794 -2.170437 0.161158
H 5.355195 -2.603676 -1.238246
H 5.203612 -2.888870 0.542077
H 6.800063 -2.438582 -0.169616


