%chk=000229947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229947

0 1
O -6.035190 -0.514111 0.096445
O -5.514623 1.583758 0.044101
O 6.295298 1.426436 -0.023288
N 4.514697 -0.001531 -0.123168
N -5.223485 0.397918 0.062229
C -0.279826 1.609454 -0.059529
C 0.859436 0.615659 -0.061200
C 0.351086 -0.719291 -0.024413
C -1.502006 0.723372 -0.017415
C -1.110246 -0.658042 0.003069
C 2.217134 0.867605 -0.094860
C 1.229248 -1.796024 -0.021076
C -2.833634 1.081328 0.001323
C 3.110606 -0.237991 -0.089734
C -2.065257 -1.666529 0.042387
C 2.607163 -1.555775 -0.052717
C -3.790479 0.041087 0.041369
C -3.421238 -1.309236 0.061707
C 5.443405 -1.147985 -0.297999
C 5.089998 1.291564 0.016997
H -0.233068 2.291039 0.812982
H -0.267544 2.254044 -0.960988
H 2.583172 1.890660 -0.131034
H 0.854821 -2.819636 0.007426
H -3.161520 2.124618 -0.013624
H -1.774371 -2.715236 0.058098
H 3.282127 -2.409073 -0.042581
H -4.197375 -2.082713 0.092739
H 6.486962 -0.775795 -0.378931
H 5.214291 -1.704315 -1.221324
H 5.400505 -1.829661 0.567089
H 4.371715 2.114406 0.159122


%chk=000229947-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229947

0 1
O -6.118405 -0.568990 0.120664
O -5.578967 1.636997 -0.106845
O 6.378004 1.398645 0.356679
N 4.559845 -0.022167 -0.099846
N -5.256087 0.389214 0.012169
C -0.284204 1.624652 -0.188756
C 0.865624 0.628469 -0.101130
C 0.353183 -0.699114 0.035126
C -1.513686 0.731618 -0.080190
C -1.113822 -0.638411 0.050380
C 2.244563 0.868372 -0.162706
C 1.243637 -1.793187 0.109437
C -2.867379 1.084662 -0.094721
C 3.145636 -0.233109 -0.058726
C -2.084055 -1.662600 0.165970
C 2.631083 -1.556257 0.067366
C -3.819804 0.041444 0.024379
C -3.449240 -1.319361 0.153427
C 5.457985 -1.077780 -0.616472
C 5.144684 1.147248 0.403587
H -0.245997 2.373793 0.625717
H -0.270557 2.192178 -1.139587
H 2.620992 1.881937 -0.332618
H 0.871988 -2.818872 0.206870
H -3.213539 2.117110 -0.193043
H -1.786710 -2.711514 0.265230
H 3.322514 -2.400030 0.145896
H -4.234843 -2.074227 0.240717
H 6.440183 -0.614273 -0.798555
H 5.055931 -1.491650 -1.555826
H 5.591337 -1.893555 0.117958
H 4.411909 1.828762 0.880653


