%chk=000220506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220506

0 1
O 4.545049 2.003259 1.274816
O 4.403536 2.233374 -0.942261
O -6.482597 0.666803 -0.880964
C 1.895034 -0.158372 0.132339
C 0.932228 -1.292882 -0.352230
C -0.458951 -1.151160 0.279911
C -1.061103 0.201615 -0.194485
C 3.235901 -0.627444 -0.526866
C 1.325286 1.166763 -0.406821
C -2.484882 0.440413 0.407936
C 1.733406 -2.582650 -0.115236
C -0.110633 1.382726 0.102199
C 3.200152 -2.176594 -0.391291
C -1.381267 -2.305008 -0.144107
C 2.033741 -0.094003 1.659311
C -3.372394 -0.780551 0.157266
C 4.528414 -0.034308 0.068863
C -2.781101 -2.132164 0.450005
C -3.092104 1.688792 -0.290905
C -2.438327 0.657893 1.930956
C -4.589531 1.851191 -0.044819
C -4.654217 -0.679296 -0.232069
C 5.775554 -0.487854 -0.693448
C 4.478667 1.479284 -0.002545
C -5.352002 0.602855 -0.444025
H 0.804786 -1.186213 -1.461512
H -0.369588 -1.147366 1.392103
H -1.183943 0.138020 -1.305907
H 3.205473 -0.358722 -1.610777
H 1.342669 1.172631 -1.513145
H 1.954857 2.023189 -0.102147
H 1.405876 -3.397103 -0.779252
H 1.610484 -2.951039 0.916549
H -0.081645 1.574820 1.193108
H -0.513450 2.306365 -0.356434
H 3.854004 -2.524133 0.425264
H 3.574868 -2.649517 -1.313179
H -0.954998 -3.272732 0.181585
H -1.446110 -2.360979 -1.248398
H 2.673339 0.742696 1.969522
H 1.061244 0.047785 2.145406
H 2.465711 -1.013089 2.067525
H 4.623046 -0.342498 1.144350
H -2.747029 -2.266404 1.553635
H -3.441404 -2.944199 0.080056
H -2.911956 1.621948 -1.383503
H -2.562355 2.600209 0.047101
H -1.920353 1.588908 2.186954
H -3.446490 0.718985 2.356817
H -1.912251 -0.158592 2.438485
H -4.984604 2.725978 -0.600309
H -4.798355 2.066807 1.022935
H -5.277543 -1.556393 -0.414801
H 5.867767 -1.580493 -0.691106
H 6.692173 -0.084133 -0.245618
H 5.752111 -0.164487 -1.743651
H 4.537607 2.995370 1.288314


%chk=000220506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220506

0 1
O 4.706330 2.259338 0.910100
O 4.479156 2.100846 -1.392624
O -6.502294 0.699188 -1.226785
C 1.931064 -0.158144 0.266143
C 0.953871 -1.275957 -0.224473
C -0.471441 -1.168178 0.353159
C -1.067509 0.222889 -0.038187
C 3.237449 -0.618290 -0.476472
C 1.335882 1.202582 -0.179262
C -2.553573 0.446384 0.467508
C 1.748680 -2.588669 -0.019974
C -0.112830 1.388197 0.349185
C 3.234758 -2.179143 -0.298272
C -1.381447 -2.301169 -0.170457
C 2.146654 -0.178648 1.804746
C -3.406028 -0.770602 0.062604
C 4.587043 0.024745 -0.041849
C -2.829694 -2.144890 0.350099
C -3.117710 1.736476 -0.207812
C -2.620888 0.589939 2.022266
C -4.652130 1.870655 -0.125192
C -4.653274 -0.649405 -0.497827
C 5.783544 -0.570789 -0.834415
C 4.572998 1.526692 -0.285023
C -5.356766 0.635097 -0.682195
H 0.855007 -1.126269 -1.325355
H -0.421921 -1.253763 1.459802
H -1.130392 0.215107 -1.152042
H 3.100064 -0.382448 -1.553372
H 1.335694 1.252563 -1.287806
H 1.953383 2.049076 0.177976
H 1.409854 -3.394593 -0.694631
H 1.627695 -2.960448 1.015690
H -0.082750 1.497954 1.450018
H -0.507582 2.341618 -0.048623
H 3.888259 -2.475546 0.544752
H 3.630666 -2.680584 -1.198799
H -0.985351 -3.286897 0.139275
H -1.382962 -2.285120 -1.280096
H 2.809925 0.650905 2.110470
H 1.198938 -0.061033 2.357201
H 2.608751 -1.122937 2.145416
H 4.747071 -0.144677 1.037397
H -2.819678 -2.303961 1.450123
H -3.486911 -2.925447 -0.074838
H -2.822222 1.729145 -1.276818
H -2.650963 2.628465 0.249146
H -2.092568 1.500811 2.354938
H -3.668753 0.666042 2.363419
H -2.167207 -0.273943 2.539174
H -5.011105 2.760203 -0.672551
H -4.976293 1.996587 0.928411
H -5.215349 -1.543666 -0.798239
H 5.854897 -1.657677 -0.662038
H 6.737607 -0.112461 -0.517233
H 5.658327 -0.390090 -1.916527
H 4.715824 3.232242 0.692269


