%chk=000211222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211222

0 1
O 1.537778 0.000380 -1.156586
O 0.368738 0.000193 2.208933
N 2.387115 0.000842 1.002561
N 3.847446 0.001412 -0.956011
C 0.331398 0.000016 -0.276419
C -1.799506 1.269517 0.121690
C -1.798606 -1.270941 0.121866
C -0.426333 1.281316 -0.586316
C -0.425426 -1.281865 -0.586145
C -2.584931 -0.001017 -0.257686
C -2.590587 2.529870 -0.234510
C -2.588796 -2.531904 -0.234154
C 0.969811 0.000334 1.172292
C 2.649752 0.000871 -0.307811
H -1.619008 1.258062 1.229251
H -1.618112 -1.259202 1.229425
H -0.556894 1.375060 -1.683188
H 0.158373 2.169153 -0.279730
H 0.159908 -2.169247 -0.279445
H -0.555927 -1.375843 -1.683004
H -3.563460 -0.001328 0.257348
H -2.813908 -0.001173 -1.338866
H -2.800841 2.595218 -1.307436
H -3.553662 2.553269 0.288810
H -2.047257 3.437894 0.050772
H -2.798980 -2.597568 -1.307074
H -2.044836 -3.439502 0.051284
H -3.551865 -2.555896 0.289148
H 4.709437 0.001514 -0.428932
H 3.886077 0.001063 -1.962569


%chk=000211222-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211222

0 1
O 1.583520 0.000569 -1.207630
O 0.390219 0.000398 2.206207
N 2.439711 0.000716 0.979357
N 3.898707 0.000953 -0.922240
C 0.361526 0.000173 -0.296757
C -1.816256 1.286275 0.131791
C -1.815209 -1.287657 0.131945
C -0.444457 1.279541 -0.594380
C -0.443430 -1.279869 -0.594254
C -2.603691 -0.001030 -0.215695
C -2.608121 2.558850 -0.235826
C -2.606059 -2.560915 -0.235474
C 1.026543 0.000459 1.123519
C 2.674331 0.000758 -0.334723
H -1.625455 1.285103 1.223427
H -1.624400 -1.286188 1.223581
H -0.613395 1.326292 -1.689858
H 0.146085 2.171482 -0.311223
H 0.147834 -2.171309 -0.311027
H -0.612347 -1.326857 -1.689725
H -3.568162 -0.001379 0.329260
H -2.847737 -0.001196 -1.301244
H -2.808546 2.600415 -1.324324
H -3.581779 2.582476 0.287499
H -2.053561 3.474415 0.042414
H -2.806538 -2.602768 -1.323950
H -2.050729 -3.475992 0.042832
H -3.579655 -2.585264 0.287933
H 4.723908 0.001102 -0.328231
H 3.984042 0.000945 -1.935705


