%chk=000283606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000283606

0 1
O -1.725035 0.330431 -0.491471
O -4.552117 1.112329 -2.463644
N 3.789915 -0.097238 0.300568
N 5.920041 -1.403025 0.157222
N 5.917398 0.988254 0.684091
N 3.985741 2.315272 0.491127
N 7.911473 -0.299710 0.785852
N -4.291489 0.117900 -0.387803
C 4.460277 -1.476664 0.052882
C 3.929816 -2.433556 1.130775
C 4.097049 -1.950495 -1.361753
C 2.374682 0.040233 0.045783
C 4.589323 1.039541 0.504067
C 6.534686 -0.286589 0.510542
C 1.912810 0.490668 -1.201333
C 1.465214 -0.286909 1.072804
C 0.541170 0.609683 -1.440036
C 0.098860 -0.176717 0.847554
C -0.346343 0.269627 -0.413556
C -2.314378 0.765063 -1.742807
C -3.837207 0.691040 -1.574518
C -5.665560 -0.057746 -0.012548
C -5.915588 -0.650198 1.243311
C -6.729417 0.332138 -0.842266
C -7.234198 -0.845985 1.653802
C -8.040953 0.126069 -0.409487
C -8.299692 -0.460427 0.832913
H 4.482551 -3.384088 1.081813
H 4.088297 -2.035793 2.139922
H 2.867682 -2.657281 1.005012
H 4.625642 -2.889941 -1.583038
H 3.025712 -2.134215 -1.479356
H 4.412345 -1.231395 -2.125925
H 2.627290 0.753919 -1.984573
H 1.837748 -0.627719 2.041166
H 0.193731 0.959926 -2.407803
H -0.626276 -0.425494 1.619811
H 4.581679 3.076191 0.811975
H 3.032090 2.387427 0.820686
H 8.434963 -1.086076 0.423590
H 8.391474 0.589191 0.738559
H -1.991293 0.095188 -2.562526
H -2.007241 1.807902 -1.951951
H -3.591592 -0.197727 0.298014
H -5.097268 -0.954302 1.890661
H -6.537380 0.792513 -1.817087
H -7.433333 -1.303428 2.622799
H -8.868908 0.427865 -1.051811
H -9.324791 -0.616651 1.160591


%chk=000283606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000283606

0 1
O -1.784301 0.214909 -0.528511
O -4.561082 1.100930 -2.701263
N 3.835380 -0.141244 0.224522
N 6.005242 -1.228708 -0.295288
N 5.892152 0.911805 0.904132
N 3.861658 1.992848 1.274509
N 7.917440 0.063628 0.119431
N -4.393262 0.205302 -0.516748
C 4.588568 -1.477430 0.004472
C 4.470763 -2.326194 1.302554
C 3.965758 -2.221096 -1.192436
C 2.413404 -0.038429 0.019854
C 4.557277 0.897080 0.802386
C 6.552941 -0.140920 0.232717
C 1.904776 0.471129 -1.199918
C 1.496201 -0.439990 1.030611
C 0.514815 0.572613 -1.424619
C 0.108041 -0.344943 0.819488
C -0.382192 0.158190 -0.409657
C -2.356846 0.720012 -1.784693
C -3.891743 0.691486 -1.705952
C -5.752442 0.048764 -0.122010
C -5.998376 -0.480920 1.173315
C -6.843178 0.398279 -0.962401
C -7.320659 -0.659807 1.626628
C -8.161257 0.212645 -0.492408
C -8.412009 -0.313464 0.795626
H 5.066227 -3.247597 1.180952
H 4.875222 -1.765653 2.164361
H 3.422449 -2.610696 1.508571
H 4.546899 -3.144195 -1.351363
H 2.909109 -2.487239 -1.015775
H 4.044172 -1.609815 -2.107327
H 2.611355 0.785830 -1.974495
H 1.880199 -0.823434 1.981471
H 0.153141 0.967614 -2.378288
H -0.604186 -0.653391 1.590959
H 4.416448 2.769876 1.623852
H 2.846273 2.020516 1.296525
H 8.486710 -0.638501 -0.343456
H 8.309724 0.941417 0.445431
H -2.040635 0.091650 -2.639849
H -2.039103 1.764597 -1.969032
H -3.671748 -0.073211 0.159257
H -5.155354 -0.751445 1.822183
H -6.646765 0.804078 -1.956593
H -7.498130 -1.069165 2.627183
H -8.999743 0.483486 -1.143745
H -9.439734 -0.452200 1.147436


