%chk=000214015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214015

0 1
O -4.611811 1.280041 0.115374
N -2.263691 -0.304478 -0.280306
C 0.167376 -1.726758 0.940748
C -0.788430 -2.313203 -0.120429
C -1.366334 -1.231060 -1.048344
C -3.590656 -0.943848 0.003486
C -2.470828 0.973651 -1.040168
C 1.427275 -1.189658 0.285613
C -4.442011 0.035951 0.825645
C -3.351729 1.908786 -0.197226
C 0.503153 -2.769903 2.013167
C 1.632605 0.231885 0.169242
C 2.378366 -2.052738 -0.214235
C 2.820213 0.712644 -0.443455
C 0.678567 1.187798 0.646353
C 3.565161 -1.565410 -0.829035
C 3.787008 -0.216802 -0.941409
C 3.033016 2.124746 -0.558007
C 0.902552 2.535041 0.523819
C 2.099471 3.011770 -0.085797
H -0.376965 -0.880291 1.448746
H -0.260538 -3.068149 -0.733707
H -1.609002 -2.854079 0.390108
H -1.877713 -1.713067 -1.908861
H -0.527091 -0.634085 -1.474844
H -3.411765 -1.872107 0.587624
H -4.137790 -1.234280 -0.919067
H -2.935629 0.816179 -2.036672
H -1.476882 1.444772 -1.207251
H -5.482516 -0.311871 0.945655
H -3.989487 0.245031 1.810836
H -2.854202 2.200299 0.744386
H -3.667510 2.804662 -0.759412
H -0.385173 -3.038773 2.594673
H 1.250828 -2.382034 2.715919
H 0.908323 -3.692228 1.584024
H 2.240322 -3.130369 -0.143252
H -0.244346 0.809606 1.105800
H 4.290922 -2.284831 -1.205209
H 4.692505 0.166845 -1.406454
H 3.950932 2.475683 -1.026162
H 0.177018 3.257879 0.890701
H 2.255285 4.085952 -0.167016


%chk=000214015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214015

0 1
O -4.637881 1.336424 0.127538
N -2.306070 -0.339048 -0.359052
C 0.143722 -1.766581 0.912275
C -0.813399 -2.373455 -0.155852
C -1.454649 -1.320195 -1.084474
C -3.590338 -0.917964 0.114148
C -2.568589 0.879167 -1.171377
C 1.402068 -1.162694 0.270224
C -4.373579 0.127986 0.924732
C -3.363616 1.902930 -0.345640
C 0.500099 -2.825452 1.988697
C 1.627896 0.267894 0.194335
C 2.377615 -2.022759 -0.258954
C 2.869989 0.761405 -0.381947
C 0.672879 1.240571 0.656211
C 3.585610 -1.536674 -0.842000
C 3.834682 -0.165441 -0.893724
C 3.112363 2.175112 -0.438509
C 0.937325 2.610544 0.583747
C 2.171441 3.087075 0.039663
H -0.424429 -0.967258 1.418385
H -0.257521 -3.097454 -0.784807
H -1.601507 -2.955342 0.362533
H -2.035578 -1.840917 -1.888117
H -0.649335 -0.751827 -1.587435
H -3.388197 -1.793727 0.757670
H -4.219338 -1.262599 -0.745990
H -3.142804 0.636228 -2.100849
H -1.600093 1.322966 -1.469462
H -5.365613 -0.255146 1.216131
H -3.795497 0.399249 1.835242
H -2.754604 2.231260 0.525496
H -3.639592 2.779490 -0.954881
H -0.414162 -3.163420 2.511941
H 1.193755 -2.409555 2.741088
H 0.978545 -3.719325 1.547177
H 2.218791 -3.106707 -0.214228
H -0.293924 0.902573 1.042320
H 4.318463 -2.248140 -1.238656
H 4.765654 0.219867 -1.326519
H 4.057405 2.527246 -0.869951
H 0.192159 3.329035 0.944395
H 2.368653 4.163854 -0.005924


