%chk=000201298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201298

1 1
O -1.162624 -2.735828 -0.573483
O 0.684751 -4.200948 -0.315481
O -2.603427 -1.281722 0.572788
O -4.602391 0.416370 0.306016
N 3.079204 1.766940 0.073083
C 1.597085 1.327224 0.228119
C 3.939971 0.918610 1.017092
C 1.443725 -0.174677 0.133881
C 0.701858 2.032548 -0.809134
C 3.893679 -0.558401 0.633083
C 2.510876 -1.050764 0.307580
C 0.102610 -0.642806 -0.104465
C 3.567188 1.610088 -1.350532
C 3.220980 3.219832 0.480962
C -0.734254 1.661192 -0.543652
C -1.006108 0.310993 -0.173837
C -0.029887 -2.009679 -0.261806
C 2.352559 -2.456634 0.173861
C 1.088289 -2.901909 -0.119795
C -1.747934 2.596382 -0.669076
C -2.329837 -0.027459 0.123762
C -3.374826 0.949388 -0.014853
C -3.090190 2.241905 -0.413982
C -0.760289 -4.146868 -0.594183
C -5.769391 1.261343 0.129943
H 1.276071 1.643940 1.264085
H 3.563598 1.052785 2.060586
H 4.990076 1.290716 1.007587
H 0.948917 1.711363 -1.846583
H 0.833725 3.132074 -0.778959
H 4.310771 -1.156682 1.481468
H 4.578298 -0.776989 -0.217481
H 3.121037 2.362997 -2.025203
H 4.664596 1.713209 -1.421141
H 3.297692 0.611963 -1.755304
H 2.934200 3.379510 1.537516
H 4.259766 3.580194 0.361715
H 2.575416 3.879246 -0.131711
H 3.185989 -3.144663 0.299661
H -1.531816 3.621169 -0.968631
H -3.872914 2.989826 -0.527780
H -0.921682 -4.530611 -1.611019
H -1.278484 -4.664122 0.225576
H -3.593932 -1.425971 0.678719
H -5.869309 1.557243 -0.918549
H -5.715501 2.122953 0.801860
H -6.579432 0.579529 0.427197


%chk=000201298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201298

1 1
O -1.097213 -2.794417 -0.843164
O 0.747073 -4.265176 -0.467728
O -2.645727 -1.234028 0.760647
O -4.623182 0.450591 0.414028
N 3.074828 1.789254 0.095103
C 1.577794 1.333887 0.156212
C 3.871543 0.928866 1.101553
C 1.445815 -0.191654 0.110121
C 0.718182 1.958552 -0.971533
C 3.916810 -0.535763 0.671303
C 2.538647 -1.068191 0.304808
C 0.110400 -0.681146 -0.162185
C 3.659426 1.640916 -1.305457
C 3.189649 3.245096 0.533001
C -0.734093 1.614659 -0.676103
C -1.013584 0.278541 -0.243619
C 0.006157 -2.067400 -0.361993
C 2.375562 -2.476679 0.161604
C 1.111525 -2.937584 -0.187834
C -1.759325 2.565634 -0.804541
C -2.337635 -0.026145 0.153706
C -3.377886 0.942952 -0.003398
C -3.101828 2.228418 -0.494076
C -0.726948 -4.225487 -0.701544
C -5.794429 1.330185 0.299612
H 1.220213 1.731880 1.129435
H 3.352446 1.041688 2.069211
H 4.880019 1.370430 1.179921
H 1.022849 1.532059 -1.947601
H 0.828621 3.056136 -1.022471
H 4.325391 -1.113161 1.521803
H 4.635981 -0.680699 -0.158463
H 3.222944 2.407063 -1.961188
H 4.750126 1.782052 -1.246370
H 3.423541 0.641291 -1.694774
H 2.862127 3.333438 1.580036
H 4.240666 3.560994 0.443392
H 2.559824 3.877239 -0.107898
H 3.211179 -3.166754 0.304357
H -1.527000 3.578461 -1.150281
H -3.894714 2.972014 -0.610401
H -0.957653 -4.748246 -1.640835
H -1.238804 -4.652061 0.179332
H -3.626944 -1.256413 0.934610
H -5.964774 1.616235 -0.754617
H -5.667517 2.232448 0.926076
H -6.641383 0.734828 0.667702


