%chk=000257025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257025

0 1
S 0.585740 -1.576412 0.000041
N 0.227392 1.020494 -0.000518
N 2.546296 0.418098 0.000261
N 3.424601 -0.650959 0.000287
C -1.071270 0.446793 -0.000077
C -1.056102 -0.970843 0.000045
C 1.276741 0.090351 0.000095
C -2.288034 1.141431 -0.000045
C 0.445254 2.480546 0.000682
C -2.232032 -1.704071 0.000139
C -3.469572 0.392870 0.000057
C -3.448536 -1.008044 0.000143
C 4.686228 -0.354264 0.000310
H -2.319293 2.226478 -0.000092
H 0.000357 2.940001 -0.898927
H 1.529308 2.712155 -0.000832
H 0.003185 2.938325 0.902530
H -2.215533 -2.793580 0.000205
H -4.427796 0.914039 0.000073
H -4.385058 -1.562268 0.000212
H 5.396007 -1.185178 0.000353
H 5.145917 0.634638 0.000259


%chk=000257025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257025

0 1
S 0.660204 -1.634198 -0.000157
N 0.228127 1.020673 0.000186
N 2.551604 0.480226 0.000271
N 3.418191 -0.648554 0.000242
C -1.062106 0.448750 0.000176
C -1.043801 -0.973089 -0.000015
C 1.285205 0.115706 0.000085
C -2.287671 1.149810 0.000366
C 0.456886 2.473628 0.000420
C -2.238608 -1.710568 -0.000075
C -3.490152 0.405844 0.000291
C -3.470428 -1.009424 0.000065
C 4.694199 -0.358980 0.000372
H -2.310435 2.243881 0.000599
H 0.010704 2.933781 -0.899892
H 1.542711 2.644423 -0.000459
H 0.012283 2.933328 0.901756
H -2.221156 -2.805082 -0.000233
H -4.448255 0.936371 0.000426
H -4.410606 -1.570330 0.000008
H 5.396917 -1.199086 0.000263
H 5.079985 0.673488 0.000506


