%chk=000212639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212639

0 1
O -5.913058 -0.929016 -0.736187
O -6.000014 1.215943 -0.036265
N 1.058889 0.598341 0.618332
C 3.296087 -0.587297 -0.080138
C 4.775885 -0.032584 0.033119
C 4.348811 1.403554 -0.448676
C 2.515201 0.428946 0.849715
C 2.940123 -0.247921 -1.559549
C 3.237986 1.784774 0.562687
C 3.647195 1.111319 -1.804121
C 3.099905 -2.040918 0.287058
C 5.784459 -0.719357 -0.892460
C 5.365112 -0.061343 1.446895
C 0.247645 -0.574054 1.070725
C -1.205270 -0.368519 0.718499
C -1.829789 0.863827 0.970652
C -1.944011 -1.423861 0.159914
C -3.177721 1.041888 0.665938
C -3.294898 -1.250136 -0.142973
C -3.914938 -0.017213 0.108382
C -5.343414 0.211660 -0.198290
C -7.320317 -0.840576 -1.083483
H 5.161027 2.134040 -0.515459
H 2.660434 0.133600 1.915820
H 1.855250 -0.186696 -1.725183
H 3.308968 -1.026275 -2.244388
H 3.652729 2.214692 1.485847
H 2.552983 2.547033 0.158843
H 4.374214 1.050889 -2.627394
H 2.934512 1.904019 -2.074025
H 2.041469 -2.333832 0.217902
H 3.669896 -2.701816 -0.377030
H 3.435006 -2.246652 1.310508
H 5.988712 -1.743062 -0.560335
H 5.443017 -0.783365 -1.930065
H 6.736586 -0.177461 -0.901744
H 6.308548 0.494954 1.485480
H 4.707257 0.377853 2.202855
H 5.575331 -1.088713 1.763959
H 0.873978 0.781310 -0.377313
H 0.341275 -0.647191 2.181786
H 0.626212 -1.544894 0.663204
H -1.247343 1.682113 1.401723
H -1.468286 -2.382186 -0.039433
H -3.670904 1.999260 0.857638
H -3.875992 -2.068254 -0.576777
H -7.906795 -0.625360 -0.184577
H -7.530058 -1.837681 -1.483092
H -7.464791 -0.057087 -1.834229


%chk=000212639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212639

0 1
O -6.332173 -0.757954 -0.305573
O -6.022419 1.411090 0.486497
N 1.029499 0.234268 -0.027833
C 3.524260 -0.647183 -0.147414
C 4.847819 0.127922 0.269554
C 4.387949 1.464982 -0.414083
C 2.407132 0.301781 0.479257
C 3.493671 -0.421609 -1.691248
C 3.013306 1.736944 0.259895
C 4.098099 1.017642 -1.879034
C 3.437716 -2.114337 0.286700
C 6.146441 -0.466611 -0.329219
C 5.076289 0.248577 1.798470
C 0.193717 -0.936430 0.263816
C -1.299949 -0.613987 0.207634
C -1.782009 0.660613 0.602568
C -2.230378 -1.594799 -0.221921
C -3.160314 0.943827 0.579509
C -3.612407 -1.320007 -0.247230
C -4.087176 -0.044697 0.154871
C -5.533916 0.305132 0.142917
C -7.785537 -0.482337 -0.344028
H 5.102405 2.302972 -0.334478
H 2.345793 0.066297 1.561120
H 2.464273 -0.506809 -2.087900
H 4.093313 -1.189122 -2.213717
H 3.113445 2.281677 1.214847
H 2.355403 2.345324 -0.387764
H 5.020097 0.992893 -2.486858
H 3.397113 1.710332 -2.379952
H 2.526037 -2.603046 -0.102250
H 4.302994 -2.693005 -0.089284
H 3.421300 -2.209617 1.389527
H 6.400245 -1.424057 0.164150
H 6.084930 -0.655756 -1.413431
H 6.993435 0.225246 -0.158007
H 5.983391 0.850570 1.997164
H 4.241824 0.725062 2.338214
H 5.240947 -0.749594 2.247130
H 0.908505 0.603640 -0.977018
H 0.452732 -1.271214 1.290611
H 0.386147 -1.816558 -0.395740
H -1.051908 1.415208 0.912647
H -1.867812 -2.579522 -0.542418
H -3.544339 1.922919 0.885221
H -4.329556 -2.075377 -0.580089
H -8.157506 -0.241366 0.666262
H -8.238036 -1.409976 -0.722121
H -7.997689 0.366746 -1.015679


