%chk=000180312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180312

0 1
O 2.593031 1.732102 -0.113060
O -1.505666 2.560004 1.149403
O -5.185760 -2.359741 -0.653741
O -4.102411 2.015152 0.491422
O -5.319403 -0.395597 1.604268
C 4.230689 0.394646 -1.163874
C 5.161714 0.333997 0.062522
C 5.012711 -0.978282 0.862968
C 2.787584 0.527190 -0.720105
C 5.566821 -2.174961 0.059828
C 4.597335 1.555586 -2.091277
C 5.726895 -0.840879 2.212825
C 0.445263 -0.099422 -0.514069
C 1.806009 -0.387751 -0.907269
C 0.181143 1.113297 0.163417
C 1.313206 2.011407 0.540344
C 5.097633 -3.516823 0.615040
C -1.152232 1.421899 0.487233
C -0.609181 -0.985991 -0.813819
C -2.221335 0.552956 0.186417
C -1.922174 -0.679104 -0.462768
C -3.003121 -1.611246 -0.775402
C -3.613886 0.917460 0.465369
C -4.247311 -1.450848 -0.268761
C -4.524958 -0.328596 0.704996
C -6.521273 -2.240195 -0.086123
H 4.331965 -0.568255 -1.736325
H 4.955890 1.201125 0.721975
H 6.211547 0.456392 -0.265371
H 3.925060 -1.154705 1.058424
H 5.251418 -2.087215 -1.000278
H 6.673015 -2.139702 0.046225
H 3.943964 1.588480 -2.971669
H 4.501216 2.523108 -1.579672
H 5.629420 1.470293 -2.449132
H 5.644668 -1.765010 2.796998
H 5.295444 -0.035281 2.816209
H 6.794347 -0.628566 2.091064
H 2.009900 -1.343675 -1.381926
H 1.143353 3.066262 0.244689
H 1.553146 1.935805 1.621176
H 4.004518 -3.598920 0.607340
H 5.494305 -4.350266 0.024456
H 5.427799 -3.663630 1.650208
H -0.386231 -1.919873 -1.326119
H -2.777312 -2.450644 -1.435695
H -0.754854 3.186299 1.295567
H -7.027461 -3.100993 -0.539984
H -6.978663 -1.296325 -0.394576
H -6.480179 -2.324565 1.006333


%chk=000180312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180312

0 1
O 2.516785 1.484347 0.069043
O -1.364820 2.296238 1.731604
O -5.443169 -2.210106 -0.925019
O -4.012412 1.864277 1.463541
O -5.983556 0.016612 0.938759
C 4.064949 0.231426 -1.316058
C 5.249281 0.364146 -0.312947
C 5.330226 -0.721393 0.795518
C 2.719946 0.279270 -0.623673
C 5.607478 -2.131919 0.204956
C 4.147066 1.342368 -2.401612
C 6.402566 -0.316678 1.835995
C 0.366817 -0.361717 -0.257707
C 1.719688 -0.660836 -0.716378
C 0.172747 0.781273 0.569712
C 1.432929 1.444884 1.088933
C 5.561153 -3.279327 1.238369
C -1.140467 1.180618 0.927360
C -0.757358 -1.118329 -0.673424
C -2.285893 0.428063 0.509609
C -2.066479 -0.746280 -0.293466
C -3.180253 -1.558407 -0.762087
C -3.669709 0.805288 0.864521
C -4.498537 -1.311256 -0.442238
C -4.826995 -0.180150 0.465594
C -6.881757 -1.859253 -0.979225
H 4.122376 -0.749556 -1.825048
H 5.180507 1.362186 0.162473
H 6.192522 0.353144 -0.897942
H 4.346746 -0.761967 1.313724
H 4.863814 -2.349416 -0.587537
H 6.600169 -2.118739 -0.292524
H 3.331131 1.244687 -3.139732
H 4.076484 2.342882 -1.940533
H 5.110451 1.274454 -2.938401
H 6.442906 -1.023232 2.683742
H 6.194380 0.688562 2.247859
H 7.407750 -0.288268 1.371345
H 1.910404 -1.581591 -1.273976
H 1.309882 2.505070 1.374629
H 1.836585 0.889496 1.963376
H 4.592006 -3.290837 1.772736
H 5.683907 -4.261096 0.745003
H 6.361727 -3.186711 1.993758
H -0.610587 -1.995975 -1.312680
H -2.958359 -2.424622 -1.395415
H -0.519839 2.771983 1.935785
H -7.325668 -2.664391 -1.584565
H -7.033058 -0.881859 -1.469780
H -7.318865 -1.830965 0.029725


