%chk=000213411.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213411

0 1
O 5.886333 -1.576576 0.694778
O -0.025643 0.949647 -0.022722
O -2.700910 0.891175 0.518555
N 3.276564 -0.594062 0.081883
C 3.993606 -0.157382 1.325484
C 3.673524 -1.996687 -0.271287
C 1.794621 -0.473246 0.243860
C 5.506923 -0.236300 1.068295
C 5.195547 -2.031741 -0.486407
C 1.402670 0.893044 -0.339750
C -0.760784 1.977897 -0.546255
C -2.159385 1.881643 -0.305064
C -0.259637 3.069845 -1.261607
C -3.032188 2.861290 -0.770845
C -2.636094 -0.433359 0.079466
C -1.146860 4.053081 -1.721122
C -2.882727 -1.380894 1.103386
C -2.517012 3.955969 -1.479452
C -2.410326 -0.804565 -1.246998
C -2.899706 -2.729990 0.740522
C -3.127690 -0.941730 2.506600
C -2.431672 -2.165732 -1.572431
C -2.674935 -3.122594 -0.586645
H 3.731780 -0.771780 2.214291
H 3.701454 0.889675 1.551750
H 3.154927 -2.282301 -1.211458
H 3.386365 -2.737125 0.506119
H 1.439104 -0.551556 1.294846
H 1.254798 -1.273717 -0.308987
H 5.825043 0.461925 0.274186
H 6.096237 -0.069950 1.986834
H 5.576867 -3.061215 -0.602512
H 5.501789 -1.407793 -1.344598
H 1.544806 0.941152 -1.431280
H 1.904452 1.738234 0.157212
H 0.803324 3.171908 -1.457973
H -4.099761 2.767566 -0.572083
H -0.752505 4.905459 -2.274580
H -3.193887 4.727399 -1.840518
H -2.221823 -0.054710 -2.010685
H -3.089504 -3.487294 1.500060
H -2.700599 -1.635332 3.240652
H -2.691659 0.053327 2.697486
H -4.205473 -0.859395 2.709198
H -2.260299 -2.472880 -2.602691
H -2.693757 -4.178635 -0.844515


%chk=000213411-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213411

0 1
O 6.130686 -1.358576 0.736605
O -0.045193 0.803254 -0.053352
O -2.746957 0.859482 0.540970
N 3.382990 -0.652534 0.106080
C 4.141207 0.062252 1.167307
C 3.865490 -2.054015 -0.009942
C 1.914079 -0.550169 0.270726
C 5.645644 0.026367 0.852431
C 5.372726 -2.061148 -0.312884
C 1.401456 0.765799 -0.329831
C -0.774440 1.895021 -0.530440
C -2.174364 1.879853 -0.254811
C -0.225071 2.989274 -1.241428
C -2.991919 2.949494 -0.659862
C -2.792156 -0.478574 0.062278
C -1.055860 4.058128 -1.652171
C -3.075798 -1.460139 1.049795
C -2.436543 4.046452 -1.360266
C -2.628204 -0.809159 -1.299409
C -3.185365 -2.802414 0.616421
C -3.244602 -1.060065 2.500686
C -2.741489 -2.159430 -1.699525
C -3.020244 -3.160801 -0.742868
H 3.965173 -0.402082 2.170353
H 3.805934 1.114913 1.219409
H 3.323374 -2.554400 -0.834175
H 3.680675 -2.633828 0.928771
H 1.593015 -0.617240 1.336886
H 1.430725 -1.386857 -0.264521
H 5.839849 0.572690 -0.095927
H 6.234006 0.477419 1.668510
H 5.771468 -3.088933 -0.326631
H 5.555388 -1.575033 -1.295684
H 1.588361 0.785852 -1.420943
H 1.891707 1.645224 0.135297
H 0.844900 3.020086 -1.467230
H -4.057595 2.906572 -0.414364
H -0.615412 4.900180 -2.196927
H -3.077742 4.876618 -1.672760
H -2.420223 -0.024843 -2.034522
H -3.402431 -3.577371 1.361531
H -3.408122 -1.945029 3.139285
H -2.353755 -0.517541 2.866265
H -4.101025 -0.372615 2.629427
H -2.617061 -2.422065 -2.756058
H -3.111387 -4.208374 -1.049507


