%chk=000212254.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212254

0 1
O 0.019789 2.316848 1.906372
O 1.834594 1.225345 -2.316422
O 3.489181 2.159318 -1.131889
N 0.227504 1.309580 -0.128452
C 1.659849 1.022403 0.073676
C 1.908527 -0.459423 0.274154
C -1.991082 2.127270 0.585492
C -0.517780 1.925410 0.885523
C -2.669743 0.905047 0.039148
C 1.781852 -1.363450 -0.789772
C 2.240798 -0.923950 1.554296
C 2.453536 1.546302 -1.126988
C -3.151677 0.891209 -1.277591
C -2.825658 -0.228617 0.852263
C 1.993595 -2.727161 -0.573254
C 2.452736 -2.289598 1.764508
C 2.330235 -3.191527 0.702761
C -3.788346 -0.250013 -1.774741
C -3.460368 -1.365849 0.348075
C -3.943070 -1.379123 -0.965234
H 2.019521 1.606338 0.983388
H -0.212681 0.871382 -0.937471
H -2.101653 2.999452 -0.096202
H -2.492692 2.449708 1.530239
H 1.522150 -1.000748 -1.786854
H 2.329844 -0.225639 2.387740
H -3.038345 1.766520 -1.914096
H -2.450451 -0.221992 1.875228
H 1.896810 -3.428919 -1.400380
H 2.713442 -2.649930 2.758913
H 2.497119 -4.254678 0.869156
H -4.165240 -0.257201 -2.796705
H -3.579557 -2.244938 0.980575
H -4.438732 -2.266347 -1.354659
H 2.328993 1.570772 -3.108300


%chk=000212254-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212254

0 1
O 0.241206 2.028629 2.009232
O 0.904215 0.418634 -2.508760
O 2.938120 1.469519 -2.097127
N 0.046934 0.898847 -0.010984
C 1.505276 0.805657 -0.189900
C 2.100598 -0.495499 0.382938
C -2.027325 1.538557 1.210857
C -0.485191 1.506633 1.108362
C -2.801899 0.832222 0.111693
C 1.881726 -1.745391 -0.249924
C 2.849531 -0.442707 1.582635
C 1.888053 0.963363 -1.660604
C -3.287353 1.549037 -1.013434
C -3.043400 -0.566093 0.179023
C 2.410373 -2.927644 0.312584
C 3.376902 -1.626804 2.144992
C 3.160637 -2.871541 1.510608
C -3.996444 0.889377 -2.043089
C -3.751904 -1.229225 -0.848089
C -4.231071 -0.503004 -1.963598
H 1.951195 1.654725 0.356661
H -0.563556 0.475144 -0.714326
H -2.301734 2.608322 1.265049
H -2.264976 1.111762 2.202628
H 1.300197 -1.793821 -1.178258
H 3.000926 0.520832 2.081612
H -3.113824 2.630335 -1.078108
H -2.679131 -1.133865 1.044173
H 2.241037 -3.890704 -0.182189
H 3.953026 -1.577495 3.075491
H 3.572165 -3.789403 1.945205
H -4.369233 1.460339 -2.900905
H -3.934325 -2.307350 -0.776155
H -4.784882 -1.015191 -2.758253
H 1.187129 0.517605 -3.457543


