%chk=000222118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222118

0 1
O 0.747490 2.185762 0.232609
O -1.740980 2.422233 0.475265
O -0.940222 -3.833205 0.322666
O 1.204066 -4.023318 0.111164
N -3.162639 0.660328 0.660651
N 0.184642 -3.361902 0.219720
C 3.087609 0.729213 -0.016998
C 3.749653 0.371015 -1.363971
C 4.001151 0.340814 1.164322
C 5.118967 1.052643 -1.488963
C 5.369882 1.022448 1.033248
C 6.033381 0.689392 -0.310511
C 1.735294 0.060682 0.109658
C 0.556800 0.869175 0.237482
C 1.592925 -1.310488 0.106809
C -0.735678 0.279736 0.360840
C 0.306635 -1.901465 0.227663
C -0.838841 -1.115904 0.353433
C -1.898903 1.183860 0.489964
C -4.357145 1.543231 0.732492
C -5.339897 1.252684 -0.408208
C -6.143288 -0.036316 -0.191242
C -7.137177 -0.273693 -1.325176
H 2.942792 1.843288 0.010716
H 3.093768 0.680669 -2.198603
H 3.869312 -0.724659 -1.455881
H 4.133890 -0.756452 1.205020
H 3.523234 0.629139 2.118892
H 5.597373 0.759077 -2.442077
H 4.989121 2.151131 -1.538024
H 5.254893 2.119157 1.133014
H 6.025945 0.707448 1.866225
H 6.995074 1.227907 -0.399731
H 6.281226 -0.388842 -0.348065
H 2.466402 -1.969957 0.011264
H -1.813807 -1.611074 0.445375
H -0.166881 2.742089 0.328645
H -3.340275 -0.339010 0.618396
H -4.024539 2.611215 0.691321
H -4.839266 1.397020 1.725712
H -6.035102 2.112030 -0.505461
H -4.801598 1.207851 -1.376377
H -5.461422 -0.904801 -0.110424
H -6.685276 0.014405 0.774302
H -7.862108 0.544426 -1.408829
H -7.706230 -1.197502 -1.166013
H -6.634052 -0.364884 -2.295016


%chk=000222118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000222118

0 1
O 0.685074 2.242834 0.229495
O -1.759305 2.490692 0.553529
O -1.048674 -3.872331 0.493934
O 1.204672 -4.084278 0.191439
N -3.193777 0.683764 0.751346
N 0.135835 -3.368709 0.330492
C 3.072297 0.716729 -0.079569
C 3.770598 0.272821 -1.398136
C 3.995857 0.426745 1.142018
C 5.147430 0.958657 -1.559318
C 5.373443 1.109632 0.978202
C 6.061884 0.685918 -0.341240
C 1.706178 0.068646 0.094443
C 0.534818 0.884110 0.252219
C 1.550878 -1.325044 0.122775
C -0.770674 0.287223 0.430885
C 0.270500 -1.904784 0.301716
C -0.882749 -1.118176 0.454445
C -1.940704 1.202278 0.582354
C -4.402439 1.524082 0.881309
C -5.396698 1.328385 -0.285904
C -5.992409 -0.096035 -0.382573
C -7.046043 -0.218509 -1.504487
H 2.917299 1.811033 -0.129723
H 3.119652 0.509005 -2.261926
H 3.911064 -0.827993 -1.392354
H 4.138727 -0.669526 1.241129
H 3.503196 0.772523 2.071022
H 5.633681 0.609467 -2.490716
H 4.998322 2.053097 -1.665358
H 5.236393 2.210710 0.980583
H 6.018676 0.865104 1.844161
H 7.024552 1.219997 -0.458804
H 6.298960 -0.397559 -0.298323
H 2.410736 -1.991254 0.008054
H -1.832001 -1.645876 0.589743
H -0.280336 2.653276 0.358737
H -3.317869 -0.328758 0.760026
H -4.052715 2.568418 0.925527
H -4.898202 1.284304 1.843057
H -6.222364 2.054974 -0.146540
H -4.897078 1.593582 -1.237980
H -5.185219 -0.834701 -0.569499
H -6.452832 -0.367148 0.589878
H -7.886598 0.479994 -1.334283
H -7.460742 -1.241087 -1.558382
H -6.605095 0.020366 -2.490104


