%chk=000179691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179691

0 1
O -2.818452 -1.560291 -0.671342
O -5.390336 2.310023 -0.943803
O -7.680859 2.371959 0.163412
N 8.907405 1.669756 -0.498457
N 9.183377 -0.120654 0.872944
N 10.169382 1.157545 -0.554616
N 10.314293 0.080248 0.277747
C 2.201641 -0.989038 0.423071
C 1.337282 -2.071501 -0.237980
C 3.664039 -1.085730 -0.031483
C -0.121166 -1.973868 0.221825
C 4.527852 -0.003546 0.630505
C -1.004191 -3.021552 -0.467762
C 5.988689 -0.106134 0.176100
C -2.472586 -2.857896 -0.082334
C 6.853060 0.975277 0.845186
C -4.106171 0.364191 -0.784910
C -3.986364 -0.954517 -0.316075
C -3.014368 1.021867 -1.578458
C 8.264911 0.870332 0.404287
C -5.301661 1.053394 -0.475805
C -1.763401 1.277665 -0.721575
C -5.006330 -1.581783 0.443332
C -6.347693 0.449939 0.284528
C -6.159667 -0.875668 0.727965
C -0.691269 2.031955 -1.501984
C -7.559138 1.214195 0.572270
C -8.668220 0.597544 1.368485
H 2.142458 -1.079755 1.524876
H 1.796601 0.013266 0.180755
H 1.392806 -1.973135 -1.339946
H 1.742927 -3.074335 -0.003125
H 3.722488 -0.993051 -1.133440
H 4.067643 -2.088730 0.208445
H -0.529115 -0.954574 -0.008083
H -0.183523 -2.082769 1.320418
H 4.466667 -0.096843 1.732498
H 4.124410 0.999061 0.388513
H -0.669092 -4.045894 -0.214814
H -0.903530 -2.924461 -1.569916
H 6.053340 -0.009939 -0.925719
H 6.394666 -1.109686 0.418649
H -2.629437 -2.815616 1.007946
H -3.123410 -3.619271 -0.542920
H 6.803512 0.872638 1.953211
H 6.455844 1.987618 0.609339
H -3.381832 1.979543 -2.006413
H -2.751707 0.378936 -2.444282
H -1.354402 0.299670 -0.364960
H -2.043253 1.844864 0.186387
H -4.891516 -2.602288 0.788193
H -6.947172 -1.358991 1.311183
H -0.377041 1.478431 -2.394124
H -1.051641 3.012409 -1.835478
H 0.199872 2.201985 -0.888471
H -6.296076 2.777338 -0.685941
H 10.894921 1.549035 -1.149737
H -8.339863 0.309724 2.376043
H -9.078509 -0.295232 0.877954
H -9.501394 1.309539 1.491587


%chk=000179691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179691

0 1
O -2.784494 -1.310094 -0.448478
O -5.964407 2.174806 -1.161962
O -8.270910 1.991976 -0.176017
N 9.517363 1.360154 -0.430809
N 9.517662 -0.628443 0.723202
N 10.717872 0.701139 -0.498260
N 10.757148 -0.506120 0.186826
C 2.496581 -0.959175 0.457775
C 1.521486 -2.006398 -0.125429
C 3.958579 -1.165062 0.002300
C 0.059353 -1.784514 0.319888
C 4.931926 -0.118616 0.589726
C -0.912872 -2.830263 -0.269158
C 6.390842 -0.330903 0.132109
C -2.372393 -2.606528 0.134008
C 7.352730 0.730917 0.730684
C -4.373751 0.417245 -0.806405
C -4.077754 -0.838656 -0.215197
C -3.337949 1.181460 -1.605330
C 8.781027 0.502213 0.344137
C -5.671491 0.952876 -0.599450
C -2.396151 2.030105 -0.703060
C -5.040266 -1.558766 0.557642
C -6.669178 0.246638 0.179421
C -6.313110 -1.011611 0.743176
C -1.332025 2.784176 -1.527914
C -7.993650 0.842682 0.358558
C -9.072513 0.141933 1.165115
H 2.449597 -0.992337 1.566466
H 2.159708 0.056651 0.162899
H 1.574596 -1.977645 -1.233934
H 1.852103 -3.022910 0.175762
H 4.005726 -1.128205 -1.106093
H 4.295003 -2.181725 0.294283
H -0.272493 -0.773500 0.013798
H 0.003343 -1.814107 1.428549
H 4.885086 -0.157136 1.698303
H 4.596291 0.898565 0.298046
H -0.620575 -3.846702 0.065856
H -0.845636 -2.825009 -1.374522
H 6.444564 -0.289314 -0.974102
H 6.738417 -1.338544 0.430975
H -2.479572 -2.561926 1.237636
H -3.027101 -3.408822 -0.262450
H 7.269457 0.705669 1.834221
H 7.057743 1.742242 0.398482
H -3.854728 1.855790 -2.310569
H -2.722105 0.471141 -2.187454
H -1.902562 1.363546 0.030869
H -3.006232 2.752051 -0.127024
H -4.793623 -2.525949 1.001718
H -7.050005 -1.562947 1.336207
H -0.692352 2.078342 -2.091486
H -1.808612 3.463220 -2.259639
H -0.675897 3.392995 -0.878708
H -6.951637 2.390494 -0.905523
H 11.519816 1.067203 -1.010051
H -8.741917 -0.038850 2.204206
H -9.328427 -0.837784 0.721504
H -9.971933 0.775530 1.178381


