%chk=000217646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217646

0 1
O 0.861239 -2.583960 0.476495
O -1.020779 0.561602 0.454294
N 1.153261 -0.661428 -0.714727
N -0.142774 -0.771364 -1.257301
N -2.505311 -0.633912 -0.885896
C 1.679227 0.739040 -0.712795
C 3.150805 0.732686 -0.399853
C 3.696000 -0.248874 0.447131
C 2.819173 -1.305782 1.047226
C 1.532532 -1.581388 0.311530
C 3.978126 1.727717 -0.937334
C 5.065127 -0.225902 0.748307
C 5.340387 1.748479 -0.628507
C 5.883126 0.771730 0.212683
C -1.230973 -0.233510 -0.442453
C -3.748202 -0.127640 -0.376630
C -4.925498 -0.574989 -1.012896
C -3.816295 0.758743 0.710410
C -6.162408 -0.127815 -0.547668
C -5.065881 1.192509 1.156806
C -6.239291 0.754988 0.534697
H 1.127139 1.368720 0.033754
H 1.478685 1.181410 -1.718344
H 3.369884 -2.271551 1.147154
H 2.557009 -1.020425 2.096569
H 3.561391 2.487642 -1.597316
H 5.494165 -0.984652 1.400844
H -0.280632 -1.738191 -1.612437
H 5.979746 2.524720 -1.046076
H 6.945926 0.787074 0.450331
H -2.580696 -1.271348 -1.681678
H -4.881868 -1.260927 -1.854401
H -2.903738 1.107254 1.205224
H -7.075143 -0.471225 -1.034389
H -5.121883 1.880138 2.001264
H -7.207375 1.098733 0.890783


%chk=000217646-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217646

0 1
O 1.091053 -2.807454 0.413148
O -1.129320 0.817542 0.731071
N 1.084143 -0.574152 -0.180338
N -0.200677 -0.789351 -0.738739
N -2.505767 -0.463919 -0.713109
C 1.680734 0.766102 -0.359906
C 3.198552 0.727927 -0.292290
C 3.863706 -0.337051 0.364898
C 3.056993 -1.447733 1.018711
C 1.682771 -1.677952 0.407498
C 3.951818 1.776107 -0.873734
C 5.278781 -0.341119 0.422616
C 5.360994 1.773522 -0.800773
C 6.027949 0.707855 -0.151798
C -1.290891 -0.080614 -0.142011
C -3.814995 -0.029255 -0.358385
C -4.903189 -0.597149 -1.075377
C -4.066030 0.926919 0.661476
C -6.226842 -0.215956 -0.777597
C -5.398470 1.294422 0.948431
C -6.484690 0.733516 0.238614
H 1.257528 1.448331 0.403220
H 1.347378 1.138165 -1.346214
H 3.592056 -2.411896 0.984362
H 2.898402 -1.219313 2.093985
H 3.433358 2.595466 -1.386612
H 5.793686 -1.171033 0.921446
H -0.320672 -1.801703 -0.911639
H 5.934911 2.589050 -1.253790
H 7.121955 0.693217 -0.098959
H -2.456718 -1.117420 -1.498382
H -4.713144 -1.339647 -1.861788
H -3.227659 1.364710 1.205957
H -7.055328 -0.662873 -1.338138
H -5.585238 2.031641 1.737465
H -7.512937 1.029398 0.471483


