%chk=000268423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268423

0 1
O -1.915621 -0.264338 -1.227510
O -2.845271 2.568353 0.113797
O -2.765865 -0.487617 1.947746
O -5.412726 -0.856391 -0.548699
O 1.126061 1.696676 -1.692089
N 0.067506 0.405980 -0.124093
N 1.300297 -1.055415 1.340754
C -2.176647 1.385563 0.507877
C -3.175990 0.228077 0.776950
C -1.251642 0.861314 -0.626751
C -2.985436 -0.771395 -0.383980
C -4.207478 -0.858745 -1.316007
C 1.257953 0.877199 -0.805435
C 0.166123 -0.562382 0.911808
C 2.516952 0.306288 -0.309762
C 2.511472 -0.641595 0.741169
C 3.742856 0.698327 -0.889992
C 3.729756 -1.189536 1.206841
C 4.931311 0.155892 -0.426433
C 4.920785 -0.788335 0.622514
H -1.624344 1.701692 1.422285
H -4.225267 0.581688 0.885492
H -1.100232 1.591135 -1.468205
H -2.651333 -1.765529 -0.013358
H -4.158770 -1.749210 -1.966527
H -4.299134 0.043805 -1.952403
H -3.372815 2.432429 -0.707230
H -3.111696 -0.054897 2.758762
H -0.784435 -0.893146 1.382274
H -5.533884 -1.717008 -0.092885
H 3.731545 1.430849 -1.702461
H 3.706878 -1.919055 2.017623
H 5.880670 0.454480 -0.868391
H 5.866920 -1.204452 0.973321


%chk=000268423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268423

0 1
O -1.980173 0.095499 -1.352293
O -2.989378 2.677301 0.088704
O -2.851267 -0.522451 1.948669
O -5.249670 -1.522478 -0.491656
O 1.164421 1.727245 -1.754002
N 0.067690 0.515942 -0.050755
N 1.258106 -0.945654 1.465681
C -2.238006 1.507273 0.552344
C -3.185600 0.277827 0.759908
C -1.223287 1.061840 -0.532541
C -2.941788 -0.628043 -0.472172
C -4.195720 -0.916706 -1.313600
C 1.244178 0.907006 -0.793504
C 0.149015 -0.379730 1.029289
C 2.488513 0.275636 -0.319639
C 2.456630 -0.630899 0.789557
C 3.717627 0.566974 -0.967705
C 3.666509 -1.232755 1.230603
C 4.905093 -0.035801 -0.521439
C 4.876355 -0.937545 0.580336
H -1.760423 1.834713 1.488787
H -4.232404 0.629638 0.815474
H -0.946846 1.886477 -1.209220
H -2.483824 -1.575154 -0.119480
H -3.929725 -1.552947 -2.180823
H -4.630603 0.023684 -1.690527
H -3.341246 2.497243 -0.822117
H -3.210237 -0.086430 2.761024
H -0.794134 -0.605745 1.540980
H -4.936775 -2.396069 -0.144286
H 3.706359 1.263757 -1.812084
H 3.618457 -1.921024 2.079611
H 5.854484 0.186333 -1.019743
H 5.806165 -1.404254 0.923620


