%chk=000230159.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230159

0 1
O 0.680743 -0.249139 0.137993
O 1.635156 1.355457 -1.133673
C -3.523251 -0.071310 0.172896
C -5.027594 0.049946 -0.188406
C -2.779451 1.257573 -0.083978
C -2.844398 -1.195620 -0.640014
C -5.707070 1.174145 0.623495
C -5.771989 -1.278309 0.069322
C -1.296585 1.151780 0.286680
C -1.362919 -1.336955 -0.275011
C -0.640793 -0.002661 -0.473840
C -7.192586 1.302888 0.259848
C -7.257830 -1.163348 -0.297713
C -7.936223 -0.022644 0.473075
C 1.748413 0.509081 -0.277786
C 2.962257 0.095791 0.506890
C 4.239056 0.276749 -0.321271
C 5.489057 -0.038677 0.508500
C 6.766011 0.135048 -0.324999
C 8.020590 -0.177945 0.501023
C 9.298674 -0.004037 -0.331661
C 10.551263 -0.313868 0.484977
H -3.437668 -0.319597 1.258106
H -5.113474 0.297631 -1.273630
H -2.882727 1.548947 -1.147025
H -3.245780 2.075175 0.499493
H -3.358965 -2.159754 -0.460700
H -2.949798 -0.993319 -1.723155
H -5.603003 0.970036 1.705811
H -5.196609 2.139083 0.443038
H -5.308691 -2.096578 -0.513567
H -5.670476 -1.564088 1.133269
H -1.178561 0.996202 1.376680
H -0.771570 2.099571 0.055598
H -0.883123 -2.124417 -0.885635
H -1.249380 -1.666546 0.777476
H -0.479460 0.242971 -1.545003
H -7.659694 2.099510 0.868122
H -7.294017 1.623338 -0.794778
H -7.363097 -0.993497 -1.386408
H -7.771418 -2.119413 -0.085800
H -7.965004 -0.265866 1.552408
H -8.989333 0.077735 0.152357
H 3.005981 0.706332 1.435224
H 2.857799 -0.955482 0.852460
H 4.285989 1.315758 -0.710690
H 4.200862 -0.373466 -1.217891
H 5.433785 -1.072983 0.900031
H 5.529791 0.619620 1.398053
H 6.727845 -0.522215 -1.215333
H 6.821875 1.169256 -0.717349
H 8.061567 0.479291 1.390842
H 7.967406 -1.211582 0.893531
H 9.354725 1.030542 -0.723526
H 9.260718 -0.662295 -1.221699
H 10.546245 -1.344634 0.857096
H 10.640574 0.347610 1.354184
H 11.457755 -0.187322 -0.117533


%chk=000230159-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230159

0 1
O 0.700378 -0.582316 0.371023
O 1.621107 1.017514 -1.060913
C -3.641567 -0.141496 0.294272
C -5.103069 0.099575 -0.208646
C -2.753745 1.125236 0.138634
C -2.961116 -1.336961 -0.431370
C -5.788163 1.287200 0.525607
C -5.988051 -1.171377 -0.070993
C -1.291052 0.895415 0.593130
C -1.498632 -1.564856 0.023811
C -0.673769 -0.289049 -0.164866
C -7.246719 1.517750 0.062170
C -7.447032 -0.940143 -0.532547
C -8.102091 0.240796 0.217424
C 1.760796 0.162368 -0.154228
C 3.064793 -0.206565 0.536093
C 4.312339 0.122055 -0.309869
C 5.626531 -0.125380 0.461924
C 6.886293 0.183702 -0.377947
C 8.206484 -0.050816 0.389957
C 9.466408 0.257228 -0.450960
C 10.781264 0.024774 0.324358
H -3.695774 -0.389183 1.379456
H -5.046196 0.358082 -1.291543
H -2.764458 1.440705 -0.926591
H -3.170276 1.965728 0.721959
H -3.526804 -2.269796 -0.256867
H -2.984968 -1.150183 -1.526403
H -5.780190 1.081482 1.617941
H -5.213872 2.219841 0.372238
H -5.557936 -2.006073 -0.654873
H -5.987832 -1.490423 0.993901
H -1.266295 0.671946 1.678390
H -0.689996 1.807056 0.421988
H -1.042240 -2.397645 -0.543048
H -1.478212 -1.846547 1.095188
H -0.565594 -0.033338 -1.237231
H -7.693959 2.354806 0.633405
H -7.244486 1.824547 -1.004809
H -7.453838 -0.725729 -1.621774
H -8.037399 -1.866001 -0.386420
H -8.191087 -0.012409 1.294497
H -9.129346 0.415124 -0.157925
H 3.101334 0.358097 1.491240
H 3.029231 -1.275002 0.815735
H 4.257409 1.176767 -0.639291
H 4.301996 -0.489972 -1.233519
H 5.665746 -1.180926 0.804424
H 5.637726 0.499842 1.379800
H 6.878933 -0.443458 -1.294009
H 6.845578 1.237670 -0.723888
H 8.216280 0.577801 1.305270
H 8.248142 -1.104709 0.737266
H 9.422477 1.309137 -0.800286
H 9.457658 -0.373047 -1.363830
H 10.861568 -1.025956 0.661962
H 10.831062 0.669216 1.222502
H 11.665833 0.247392 -0.300514


