%chk=000273034.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273034

0 1
O 1.137681 1.417034 0.463825
O 3.974077 0.668215 0.786879
O -3.237117 1.861764 0.829058
O 1.270089 1.718623 -1.798106
C 0.627203 -0.954205 0.149031
C -0.820266 -0.748441 0.117300
C 1.129301 -2.262136 -0.049542
C -1.657628 -1.809956 -0.323070
C 1.578204 0.088634 0.363481
C 0.237372 -3.333376 -0.434655
C -1.088709 -3.107617 -0.605555
C -1.428380 0.451454 0.543523
C 2.521320 -2.529960 0.091975
C 2.939054 -0.186500 0.508437
C -3.056523 -1.606922 -0.439925
C 3.410318 -1.526775 0.388296
C -2.805043 0.616193 0.416815
C -3.640939 -0.403852 -0.091807
C 0.924010 2.135131 -0.728283
C 3.705579 2.085669 0.917290
C -4.661029 2.120120 0.824538
C 0.263446 3.414059 -0.356487
H 0.670043 -4.318540 -0.604199
H -1.759684 -3.899196 -0.937153
H -0.838799 1.241874 1.012342
H 2.876043 -3.553278 -0.040594
H -3.678295 -2.423758 -0.809747
H 4.477279 -1.710748 0.514594
H -4.710012 -0.255858 -0.197807
H 3.493767 2.506079 -0.069653
H 4.660794 2.455155 1.310998
H 2.885211 2.263208 1.621003
H -5.050826 2.080292 -0.196522
H -4.705614 3.141982 1.223278
H -5.178100 1.420461 1.487561
H -0.835451 3.314571 -0.445260
H 0.573862 4.231592 -1.023981
H 0.464864 3.712308 0.684120


%chk=000273034-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273034

0 1
O 1.076097 1.545224 0.241801
O 3.805245 1.032219 0.261908
O -3.481463 1.874614 0.631671
O 1.488091 1.880401 -2.052102
C 0.553376 -0.891793 0.051036
C -0.911520 -0.738778 0.086168
C 1.109666 -2.219602 -0.116900
C -1.736991 -1.909543 -0.134155
C 1.498159 0.179363 0.154391
C 0.236447 -3.356401 -0.304362
C -1.133225 -3.205384 -0.333055
C -1.572617 0.494353 0.351834
C 2.523190 -2.418897 -0.126876
C 2.892201 -0.039755 0.179801
C -3.156045 -1.778810 -0.125486
C 3.408682 -1.351465 0.034826
C -2.975111 0.590690 0.359555
C -3.787632 -0.551489 0.107454
C 1.147247 2.338409 -0.952842
C 3.818710 1.751090 1.555609
C -4.936468 2.039644 0.657844
C 0.713057 3.748269 -0.628491
H 0.695573 -4.342544 -0.437449
H -1.789119 -4.068992 -0.493039
H -1.002717 1.392229 0.584234
H 2.907811 -3.435643 -0.264134
H -3.763511 -2.674355 -0.301871
H 4.494126 -1.486504 0.034191
H -4.879458 -0.487107 0.104305
H 2.820644 2.160531 1.794865
H 4.546721 2.566533 1.427268
H 4.150589 1.074426 2.366393
H -5.388256 1.798990 -0.324256
H -5.100282 3.102559 0.888767
H -5.401127 1.412869 1.443872
H -0.340459 3.748974 -0.294889
H 0.815979 4.380880 -1.521576
H 1.321488 4.158095 0.195689


