%chk=000183284.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183284

0 1
O -2.077041 -4.243945 -2.507458
N -3.406631 0.154913 0.568873
N 4.500389 0.093044 0.528659
N 0.907953 0.173452 -1.381677
N 0.301798 2.026181 -0.024851
C -1.294600 0.212725 -0.344246
C -2.244047 0.926091 0.471874
C -1.910691 -1.017699 -0.763505
C -3.233286 -1.040018 -0.189010
C -0.018005 0.803164 -0.576142
C 3.307051 -0.470858 -1.559288
C 3.620514 -0.930376 -0.122406
C 2.288947 0.677366 -1.589675
C -1.913954 2.186101 1.027646
C -1.484785 -2.088638 -1.555888
C -4.113997 -2.106743 -0.399015
C -4.642310 0.507857 1.276114
C 5.951315 -0.240931 0.337519
C 4.166958 0.289349 1.978258
C -0.631043 2.663459 0.735478
C -2.848616 2.985013 1.869074
C -2.388077 -3.138039 -1.746223
C -3.684809 -3.168490 -1.186753
C 6.804446 1.014878 0.526803
C 2.804975 0.966430 2.123090
H 4.239420 -0.118163 -2.048450
H 2.959138 -1.331291 -2.158856
H 4.074004 -1.943352 -0.141522
H 2.667692 -1.031697 0.444594
H 2.323742 1.207408 -2.567751
H 2.550377 1.436198 -0.805919
H 0.687576 -0.748000 -1.748805
H -0.498662 -2.095762 -2.003276
H -5.109235 -2.109756 0.039118
H -4.423486 0.808266 2.317534
H -5.161956 1.342758 0.770971
H -5.333069 -0.352163 1.313138
H 6.301587 -1.046606 1.018445
H 6.090825 -0.618669 -0.699742
H 4.188384 -0.659345 2.556465
H 4.949253 0.949144 2.418142
H -0.296798 3.633228 1.129877
H -2.391949 3.924838 2.210271
H -3.754349 3.259631 1.311428
H -3.149215 2.435122 2.771201
H -4.324647 -4.025153 -1.385994
H 6.410942 1.846715 -0.074098
H 6.809324 1.353904 1.568937
H 7.840608 0.837754 0.223861
H 2.724981 1.846417 1.464856
H 1.977178 0.305176 1.840132
H 2.634583 1.299855 3.150244
H -1.171802 -4.185443 -2.893952


%chk=000183284-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183284

0 1
O -1.881015 -4.461780 -2.015179
N -3.432499 0.301891 0.489299
N 4.458441 -0.073129 0.490599
N 0.993779 0.242269 -1.264921
N 0.317539 2.152564 -0.059069
C -1.265177 0.315545 -0.297481
C -2.260692 1.080556 0.408616
C -1.848152 -0.973841 -0.626913
C -3.196228 -0.942471 -0.131473
C 0.016132 0.910285 -0.539446
C 3.368580 -0.285166 -1.766640
C 3.732712 -0.981512 -0.433499
C 2.309965 0.821375 -1.586062
C -1.962177 2.385298 0.907475
C -1.379964 -2.155252 -1.260761
C -4.074780 -2.036015 -0.275805
C -4.728241 0.620919 1.093028
C 5.915219 -0.011054 0.200461
C 4.158809 -0.320544 1.926740
C -0.645619 2.824498 0.639607
C -2.902379 3.292953 1.678930
C -2.264329 -3.248321 -1.400854
C -3.599361 -3.194516 -0.921381
C 6.567245 1.311075 0.650625
C 2.752353 0.154929 2.338666
H 4.275574 0.170031 -2.209505
H 3.014029 -1.045592 -2.496747
H 4.322192 -1.908963 -0.644079
H 2.795192 -1.304092 0.054242
H 2.248252 1.449625 -2.500340
H 2.601865 1.481541 -0.753961
H 0.698159 -0.565539 -1.812118
H -0.346246 -2.253601 -1.615762
H -5.101376 -2.003913 0.102202
H -4.724449 1.638669 1.497510
H -5.533834 0.550533 0.337534
H -4.959726 -0.082347 1.915855
H 6.459327 -0.877360 0.658287
H 6.044594 -0.108857 -0.893977
H 4.287414 -1.402397 2.190960
H 4.905071 0.235518 2.523336
H -0.338932 3.811851 1.009654
H -2.374144 4.223858 1.951204
H -3.791425 3.588988 1.088243
H -3.257886 2.835734 2.622799
H -4.237713 -4.071754 -1.058935
H 6.062612 2.164914 0.165864
H 6.499135 1.454550 1.744150
H 7.639261 1.327234 0.377605
H 2.630136 1.228543 2.114294
H 1.954643 -0.386456 1.799298
H 2.594837 -0.006449 3.421803
H -0.939827 -4.419522 -2.315875


