%chk=000190665.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190665

0 1
O 2.857275 0.743503 0.568341
O -2.430192 -0.829952 -1.187694
O -2.841498 -1.668458 0.912403
N 1.811528 -0.955411 -0.590009
N -4.477348 -1.671310 -0.773488
C 0.532885 1.167880 -0.023832
C -0.765283 0.763487 -0.405380
C 1.663412 0.251216 -0.066136
C -1.024529 -0.647610 -0.855410
C 3.783032 -0.284061 0.393915
C 3.148092 -1.347080 -0.323175
C 0.756267 2.491821 0.404600
C -1.809201 1.700228 -0.365925
C -0.293231 3.406095 0.447330
C -1.578506 3.008484 0.058026
C 5.106549 -0.329764 0.819028
C 3.869152 -2.506204 -0.627376
C 5.801687 -1.497668 0.501466
C 5.196864 -2.559634 -0.204712
C -3.233686 -1.401718 -0.201659
C -5.638844 -1.895073 0.126561
C -6.379854 -0.603197 0.457751
H -0.525945 -0.880060 -1.821443
H -0.718862 -1.394246 -0.088917
H 1.763256 2.794312 0.704873
H -2.809452 1.391308 -0.675918
H -0.114682 4.426955 0.781581
H -2.400470 3.723921 0.086418
H 5.561940 0.492037 1.363095
H 3.400613 -3.324780 -1.170701
H 6.843875 -1.595996 0.807598
H 5.790325 -3.447637 -0.423186
H -6.313323 -2.619006 -0.386037
H -5.279131 -2.389048 1.062473
H -4.681318 -1.265503 -1.687147
H -5.738282 0.104460 0.999505
H -6.751714 -0.092889 -0.437620
H -7.246405 -0.803902 1.100700


%chk=000190665-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190665

0 1
O 3.046967 0.860802 0.390922
O -2.435998 -0.674405 -1.129762
O -2.907941 -1.783215 0.912521
N 1.783852 -0.946101 -0.336531
N -4.550047 -1.391468 -0.728244
C 0.642139 1.290589 0.011026
C -0.691166 0.893579 -0.337385
C 1.754147 0.344479 -0.006328
C -1.018171 -0.539177 -0.736566
C 3.906004 -0.251333 0.276663
C 3.128948 -1.358466 -0.169614
C 0.902462 2.639745 0.388322
C -1.712818 1.870047 -0.299810
C -0.131274 3.591803 0.422323
C -1.445890 3.204339 0.075410
C 5.278648 -0.319761 0.539707
C 3.740461 -2.613804 -0.369629
C 5.880602 -1.585174 0.334390
C 5.126203 -2.708363 -0.110996
C -3.281657 -1.332866 -0.199545
C -5.678202 -2.002384 -0.008727
C -6.748144 -0.972755 0.410508
H -0.428811 -0.860108 -1.610038
H -0.802532 -1.240482 0.089415
H 1.924977 2.922714 0.653093
H -2.726633 1.569663 -0.577015
H 0.084531 4.624550 0.715381
H -2.260353 3.936899 0.096139
H 5.851157 0.545935 0.882476
H 3.156596 -3.473672 -0.709441
H 6.952895 -1.701763 0.524105
H 5.635527 -3.667177 -0.254269
H -6.132462 -2.788242 -0.643439
H -5.252242 -2.497135 0.880403
H -4.690741 -0.986793 -1.654914
H -6.313380 -0.212309 1.082251
H -7.178339 -0.455627 -0.467381
H -7.574319 -1.477064 0.944480


