%chk=000227635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227635

0 1
O -1.806804 2.899648 -0.832633
O -1.901095 -1.152851 0.725823
O -2.401759 0.012278 -1.149221
C 2.677218 0.859415 -0.393765
C 1.251654 0.905698 0.197918
C 0.283743 1.715279 -0.666203
C -0.933126 2.258660 0.100014
C -1.701557 1.176618 0.907493
C 3.644822 0.159754 0.587309
C 2.700961 0.138829 -1.747617
C -2.985237 1.748917 1.505194
C -2.051085 0.005318 0.011115
C 3.949110 1.006182 1.820563
C -2.080808 -2.433792 0.035178
C -0.809255 -3.232748 0.295842
C 0.400537 -2.654809 -0.448827
C 1.668153 -3.459051 -0.179344
H 0.867730 -0.136441 0.318255
H 1.303893 1.332693 1.218482
H 3.029716 1.909220 -0.549185
H -0.059845 1.103574 -1.526190
H 0.804413 2.580307 -1.128076
H -0.650602 3.097081 0.778587
H -1.042558 0.809372 1.737964
H 4.592673 -0.072558 0.062512
H 3.227994 -0.819180 0.893387
H 2.367344 -0.901138 -1.662612
H 2.046762 0.631535 -2.475320
H 3.708721 0.127953 -2.176534
H -3.602664 2.232693 0.731806
H -3.589864 0.975265 1.992668
H -2.762009 2.517629 2.255398
H 3.041862 1.230372 2.393592
H 4.642020 0.488588 2.493516
H 4.409322 1.963445 1.549529
H -2.192187 2.235841 -1.460551
H -2.279616 -2.256704 -1.038035
H -2.970070 -2.872192 0.519201
H -0.974229 -4.288231 0.001808
H -0.601438 -3.248456 1.386092
H 0.197173 -2.620494 -1.536871
H 0.552051 -1.591762 -0.133263
H 1.569017 -4.497742 -0.515008
H 2.529872 -3.027811 -0.702790
H 1.914148 -3.482202 0.888695


%chk=000227635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227635

0 1
O -1.816930 2.706742 -0.998111
O -1.950157 -1.289817 0.774021
O -2.467211 -0.042767 -1.128844
C 2.910012 1.076025 -0.241652
C 1.499298 1.249190 0.385746
C 0.403567 1.658607 -0.628257
C -0.908441 2.160409 0.021187
C -1.633045 1.095934 0.905093
C 3.992113 0.796803 0.838973
C 2.926780 -0.044898 -1.309924
C -2.883181 1.702434 1.601973
C -2.053940 -0.101644 0.061870
C 4.237351 1.957643 1.828632
C -2.365269 -2.565248 0.099602
C -1.178380 -3.534840 0.102690
C -0.003117 -3.077967 -0.789921
C 1.185232 -4.061915 -0.753564
H 1.223825 0.298999 0.891150
H 1.551073 2.024118 1.177926
H 3.174335 2.033305 -0.743340
H 0.170283 0.820512 -1.314588
H 0.778825 2.485755 -1.262503
H -0.681402 3.026607 0.672073
H -0.938994 0.731958 1.683372
H 4.945133 0.561121 0.322984
H 3.710324 -0.118853 1.400668
H 2.645844 -1.017629 -0.858963
H 2.224502 0.160187 -2.137299
H 3.936624 -0.156888 -1.747304
H -3.555927 2.153264 0.853279
H -3.433077 0.938147 2.178640
H -2.565215 2.499162 2.298250
H 3.347830 2.167794 2.449691
H 5.071039 1.721905 2.515509
H 4.498490 2.887955 1.289168
H -2.171865 1.926531 -1.510085
H -2.706948 -2.323253 -0.922442
H -3.208841 -2.946261 0.700586
H -1.550622 -4.520912 -0.244873
H -0.827466 -3.677153 1.143713
H -0.359805 -2.958242 -1.832551
H 0.335834 -2.077196 -0.457675
H 0.884837 -5.065152 -1.110657
H 2.015356 -3.711120 -1.393570
H 1.576426 -4.175348 0.275222


