%chk=000188229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188229

0 1
O 4.892776 2.192545 -0.620217
O -4.885547 2.233004 0.538605
O 0.004298 2.573843 -0.047845
N 7.616637 -0.053195 -0.313002
N -7.617452 -0.013734 0.320726
N 4.819050 -0.112519 -0.725036
N -4.820048 -0.066354 0.734520
C 10.006263 0.409952 0.092532
C 9.221717 0.787650 1.362408
C -10.005248 0.441698 -0.103895
C -9.219055 0.765086 -1.387668
C 9.003988 -0.329427 -0.819963
C 7.787436 0.259174 1.147920
C -9.005926 -0.264142 0.837929
C -7.786829 0.240228 -1.151642
C 6.973602 1.076655 -1.049342
C -6.970346 1.142438 1.011220
C 5.471571 1.132291 -0.759039
C -5.468124 1.181139 0.719185
C 0.726712 -0.910133 -0.086237
C -0.730631 -0.903276 0.128111
C 1.182824 0.441812 -0.179768
C -1.181876 0.452938 0.168112
C 3.426160 -0.328945 -0.495913
C -3.427947 -0.296658 0.514292
C 0.002140 1.373435 -0.024129
C 2.507039 0.751679 -0.380850
C -2.504955 0.775267 0.356693
C 1.625947 -1.955404 -0.197573
C -1.633608 -1.940093 0.280602
C 2.985975 -1.659622 -0.403014
C -2.992551 -1.631540 0.474089
H 10.873152 -0.228364 0.328787
H 10.409152 1.308299 -0.404247
H 9.223008 1.879788 1.518088
H 9.676023 0.346717 2.264614
H -10.874486 -0.202351 -0.314582
H -10.404856 1.360796 0.356224
H -9.216168 1.850083 -1.587106
H -9.674873 0.289980 -2.271577
H 9.125704 -0.056394 -1.882887
H 9.145851 -1.430012 -0.750456
H 7.632287 -0.696722 1.692923
H 7.021895 0.966911 1.516064
H -9.126802 0.051872 1.888974
H -9.151920 -1.366093 0.812698
H -7.635244 -0.737413 -1.657682
H -7.018546 0.929659 -1.547740
H 7.108511 0.933698 -2.146330
H 7.406049 2.076896 -0.812385
H -7.105721 1.044012 2.113052
H -7.399275 2.133899 0.734327
H 5.406433 -0.956218 -0.778844
H -5.410398 -0.905160 0.821898
H 2.846293 1.794914 -0.448460
H -2.840451 1.821573 0.383006
H 1.300126 -2.990960 -0.128765
H -1.311513 -2.978723 0.252802
H 3.693083 -2.483030 -0.489361
H -3.702607 -2.448346 0.592856


%chk=000188229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188229

0 1
O 5.090060 2.666705 -0.474340
O -5.081325 2.703918 0.377914
O 0.005784 2.999200 -0.045933
N 7.509943 -0.112358 -0.270263
N -7.511266 -0.072339 0.280805
N 4.888981 0.307705 -0.391915
N -4.889421 0.342737 0.388442
C 9.945793 -0.054373 -0.211047
C 9.431218 0.084631 1.260264
C -9.947256 -0.015100 0.211343
C -9.426934 0.065372 -1.262486
C 8.718805 -0.624561 -0.987261
C 7.894987 -0.228240 1.177298
C -8.722922 -0.552262 1.015023
C -7.891965 -0.248440 -1.161576
C 7.105454 1.270836 -0.650339
C -7.102823 1.323810 0.603643
C 5.585032 1.501076 -0.482851
C -5.580847 1.541404 0.431277
C 0.736890 -0.532543 -0.044074
C -0.740971 -0.527257 0.073129
C 1.196153 0.818084 -0.104977
C -1.194262 0.826686 0.087152
C 3.497116 0.087447 -0.275341
C -3.498477 0.112403 0.281079
C 0.002975 1.739526 -0.024697
C 2.549769 1.155190 -0.220394
C -2.546434 1.173465 0.190090
C 1.673658 -1.580328 -0.099039
C -1.682346 -1.568396 0.164069
C 3.047278 -1.262514 -0.213353
C -3.054613 -1.240830 0.266452
H 10.827228 -0.713939 -0.289527
H 10.230104 0.932439 -0.618083
H 9.614942 1.100424 1.650473
H 9.936039 -0.624239 1.939287
H -10.828184 -0.672206 0.312708
H -10.234507 0.986981 0.576892
H -9.605508 1.066207 -1.691888
H -9.931629 -0.667207 -1.915916
H 8.691444 -0.341581 -2.052658
H 8.712098 -1.729656 -0.926619
H 7.698395 -1.264404 1.509345
H 7.277163 0.447982 1.791622
H -8.698892 -0.224157 2.067446
H -8.716950 -1.658943 1.001975
H -7.698044 -1.298404 -1.448939
H -7.270205 0.399028 -1.802386
H 7.339755 1.437380 -1.718887
H 7.619116 2.070673 -0.077465
H -7.339512 1.537063 1.663294
H -7.611741 2.100533 -0.004333
H 5.547278 -0.497011 -0.402406
H -5.551167 -0.458264 0.429980
H 2.881720 2.195124 -0.267821
H -2.874114 2.215790 0.201186
H 1.361711 -2.629452 -0.055458
H -1.374941 -2.619749 0.157171
H 3.787074 -2.071477 -0.258191
H -3.798002 -2.044486 0.338807


