%chk=000182591.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182591

0 1
O -0.134302 2.945298 -0.694775
N -1.224542 1.660710 0.778042
N 1.704083 -2.572537 0.048395
N -3.807898 -0.375356 -0.132193
C -1.543291 -0.866798 0.732978
C -0.163063 -1.301121 0.374865
C -1.474918 0.439935 1.567131
C 0.933513 -0.412985 0.077531
C -2.410703 -0.718454 -0.538902
C 2.099225 -1.232639 -0.107344
C 1.055578 0.984834 -0.057135
C 0.327707 -2.599451 0.343752
C -0.116755 1.912464 -0.029869
C 3.367679 -0.682499 -0.379640
C 2.308722 1.520479 -0.326739
C 3.452439 0.695039 -0.474504
C -4.624335 0.076330 -1.293087
H -2.010241 -1.646221 1.390657
H -2.445701 0.576055 2.098709
H -0.680239 0.337696 2.342205
H -2.342520 -1.646523 -1.145162
H -2.003212 0.095567 -1.179380
H -0.192767 -3.525989 0.510590
H -2.045484 2.249871 0.612896
H 2.299491 -3.371979 -0.034209
H -4.251735 -1.199822 0.287734
H 4.237215 -1.319030 -0.509243
H 2.414201 2.602628 -0.448588
H 4.412185 1.169531 -0.679181
H -5.639038 0.318829 -0.936903
H -4.708488 -0.649690 -2.114938
H -4.197006 1.007628 -1.703192


%chk=000182591-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182591

0 1
O 0.116420 3.190336 -0.394044
N -1.207796 1.652158 0.692258
N 1.711329 -2.565929 0.020506
N -3.853095 -0.392084 -0.167691
C -1.562635 -0.864074 0.709434
C -0.152430 -1.289831 0.373945
C -1.539562 0.469598 1.506266
C 0.965893 -0.402990 0.100248
C -2.470139 -0.751990 -0.546040
C 2.124799 -1.235627 -0.114695
C 1.113338 1.016160 -0.001497
C 0.343167 -2.592823 0.319608
C -0.007854 2.016164 0.093497
C 3.401934 -0.713383 -0.404140
C 2.395475 1.532752 -0.300984
C 3.521397 0.689558 -0.489985
C -4.727106 -0.026981 -1.300650
H -2.010382 -1.628099 1.381975
H -2.548149 0.650095 1.912368
H -0.831260 0.370661 2.351919
H -2.401277 -1.705759 -1.124876
H -2.076838 0.048394 -1.200503
H -0.177732 -3.534560 0.485143
H -1.924763 2.378487 0.619346
H 2.311913 -3.381240 -0.076114
H -4.280210 -1.120002 0.422457
H 4.268544 -1.365396 -0.561182
H 2.487573 2.618293 -0.406706
H 4.495782 1.136354 -0.714683
H -5.738616 0.214942 -0.928171
H -4.825204 -0.818875 -2.082526
H -4.326718 0.877490 -1.793983


