%chk=000273441.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273441

0 1
O -2.981298 0.688627 0.601032
O -2.475154 -0.376409 -1.438741
O 0.198672 -2.677289 1.552263
O 2.057173 -0.748627 1.669149
O 3.056261 1.508256 -0.008715
O 2.307607 -3.350275 -0.456998
O 2.963730 -0.275736 -1.411723
C -1.412885 -1.200323 0.642087
C -1.668394 0.275070 1.031582
C 0.083550 -1.618462 0.617950
C -1.937736 -1.535198 -0.782797
C -0.616558 1.237530 0.480533
C 0.359533 -2.076077 -0.814110
C -0.727477 -1.968237 -1.587362
C -3.489093 0.320209 -0.702988
C 1.085805 -0.496684 0.998470
C -1.755552 0.442579 2.551322
C 0.737129 0.842374 0.467865
C -0.977687 2.524078 0.074524
C -3.735127 1.581481 -1.513409
C -4.725065 -0.530449 -0.444422
C 1.681020 1.757300 -0.021658
C 1.687941 -2.620096 -1.201428
C -0.010757 3.417504 -0.401803
C 1.329240 3.038478 -0.468688
C 3.615026 0.407648 -0.662616
C 5.041541 0.325577 -0.272413
H -1.929133 -1.857791 1.389692
H -2.719474 -2.325936 -0.765017
H -0.826624 -2.163648 -2.644883
H -1.845516 1.500186 2.832434
H -2.645908 -0.061229 2.951264
H -0.874112 0.028731 3.057119
H 1.120990 -3.069829 1.509959
H -2.026068 2.825927 0.137710
H -2.800933 1.935307 -1.976962
H -4.451297 1.408423 -2.324955
H -4.122996 2.384443 -0.873976
H -5.568527 0.092976 -0.119730
H -5.031582 -1.071001 -1.347058
H -4.558017 -1.259146 0.358260
H 2.062569 -2.319063 -2.193428
H -0.307344 4.416795 -0.724331
H 2.097911 3.712366 -0.842019
H 5.421228 1.266175 0.161719
H 5.678538 0.051517 -1.127735
H 5.175351 -0.454553 0.503032


%chk=000273441-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273441

0 1
O -3.058475 0.666262 0.622167
O -2.386640 -0.305692 -1.505537
O 0.289179 -2.631427 1.705601
O 2.195983 -0.687165 1.548749
O 3.085580 1.587636 -0.035059
O 2.497152 -3.240203 -0.245520
O 2.854137 -0.200329 -1.533100
C -1.385206 -1.191410 0.635768
C -1.680737 0.286831 1.039282
C 0.119639 -1.607825 0.681378
C -1.892669 -1.512143 -0.810656
C -0.639924 1.276759 0.487710
C 0.392319 -2.162235 -0.730212
C -0.695340 -2.058125 -1.542113
C -3.487108 0.336725 -0.780123
C 1.117151 -0.444668 0.936673
C -1.730934 0.417830 2.579571
C 0.734500 0.900611 0.434471
C -1.010106 2.609551 0.201206
C -3.783197 1.625093 -1.552652
C -4.731404 -0.559816 -0.637556
C 1.693076 1.868179 0.016171
C 1.648952 -2.847995 -1.093843
C -0.041052 3.554146 -0.192824
C 1.316953 3.181412 -0.307103
C 3.571791 0.463560 -0.763090
C 5.018877 0.232581 -0.427140
H -1.898985 -1.844316 1.361848
H -2.709070 -2.263385 -0.791332
H -0.745136 -2.384696 -2.585788
H -1.925610 1.464510 2.867825
H -2.542026 -0.216195 2.975543
H -0.776609 0.095754 3.032195
H 1.269623 -2.809897 1.765594
H -2.059897 2.894394 0.306953
H -2.844242 2.144816 -1.796958
H -4.309608 1.390152 -2.493854
H -4.422309 2.284846 -0.942139
H -5.541147 0.025386 -0.169627
H -5.071836 -0.907551 -1.628519
H -4.539215 -1.429075 0.012936
H 1.792013 -3.036635 -2.183807
H -0.338812 4.584683 -0.413448
H 2.084815 3.891711 -0.626175
H 5.558994 1.185289 -0.311157
H 5.490518 -0.395604 -1.196457
H 5.056546 -0.298830 0.542151


