%chk=000299851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299851

0 1
O -8.388817 1.566245 -0.377128
O -2.394381 -0.935182 0.526535
O 3.466024 -0.819089 -0.163951
O -1.665542 0.886772 -0.604462
O 1.734214 1.669574 -0.687624
O 0.903732 1.277638 1.273646
N -5.874913 0.260707 -0.021386
N 1.246395 0.943402 0.159982
C -6.967757 -0.378768 -0.825462
C -5.958567 1.754320 -0.142724
C -4.527704 -0.235654 -0.443278
C -8.319174 0.128838 -0.294884
C -7.334221 2.208877 0.368901
C -3.666828 -0.276066 0.825973
C -0.220647 -1.052535 -0.316377
C -1.453403 -0.220237 -0.171555
C 1.066107 -0.493936 -0.203134
C 2.195409 -1.307377 -0.389690
C 2.056420 -2.691490 -0.674968
C -0.359139 -2.414212 -0.596712
C 0.769439 -3.224492 -0.772471
C 4.062569 -0.068771 -1.288688
C 3.262960 -3.544118 -0.852515
C 5.137273 0.750293 -0.637019
C 4.853514 2.054336 -0.204092
C 6.421293 0.215354 -0.456097
C 5.855408 2.822168 0.394734
C 7.419393 0.988611 0.143167
C 7.138249 2.291691 0.567024
H -6.887624 -0.165247 -1.913030
H -6.903633 -1.479743 -0.694465
H -5.806499 2.113281 -1.184017
H -5.154481 2.205069 0.477538
H -4.035179 0.395399 -1.217520
H -4.595900 -1.256994 -0.874566
H -8.489255 -0.180452 0.751637
H -9.162895 -0.187321 -0.932595
H -7.521098 3.278709 0.170194
H -7.467162 1.987180 1.442432
H -3.461656 0.725602 1.239585
H -4.077034 -0.944283 1.605786
H -1.360646 -2.850082 -0.665113
H 0.638065 -4.287702 -0.985018
H 3.285173 0.550417 -1.777417
H 4.446705 -0.824446 -1.994395
H 3.196122 -4.475833 -0.271702
H 3.408626 -3.823143 -1.906170
H 4.180472 -3.027978 -0.517464
H 3.847583 2.466222 -0.330101
H 6.639978 -0.801930 -0.774540
H 5.633509 3.834175 0.731108
H 8.416115 0.574230 0.283326
H 7.917107 2.892067 1.034266


%chk=000299851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299851

0 1
O -8.138685 2.049200 -0.705663
O -2.655070 -1.427611 0.672752
O 3.366597 -0.649358 0.085456
O -1.699918 0.694906 0.479449
O 1.441687 1.630419 -0.171072
O 0.893157 0.997169 1.951231
N -5.941303 0.214947 -0.229734
N 1.078910 0.758903 0.706572
C -7.017954 -0.111778 -1.199665
C -5.746996 1.688276 -0.146346
C -4.680079 -0.522468 -0.460140
C -8.320664 0.590506 -0.780399
C -7.066462 2.366596 0.253890
C -3.986054 -0.786060 0.890469
C -0.317976 -1.299811 0.199663
C -1.585559 -0.554071 0.461645
C 0.941064 -0.651322 0.244246
C 2.143856 -1.321916 -0.084078
C 2.110262 -2.696302 -0.456061
C -0.340083 -2.666459 -0.174082
C 0.852158 -3.346792 -0.487811
C 3.956595 -0.041790 -1.171712
C 3.394850 -3.432257 -0.770487
C 5.109402 0.836177 -0.757939
C 4.859650 2.078256 -0.118244
C 6.446621 0.437365 -1.001938
C 5.935039 2.903074 0.274649
C 7.524280 1.266379 -0.615091
C 7.269253 2.500435 0.025578
H -6.751232 0.208634 -2.237844
H -7.177627 -1.206631 -1.207388
H -5.403443 2.101514 -1.127211
H -4.969033 1.919796 0.603803
H -3.982329 0.028045 -1.133849
H -4.910908 -1.490205 -0.941717
H -8.648153 0.202190 0.208405
H -9.117128 0.429862 -1.525743
H -6.970400 3.464523 0.235498
H -7.363855 2.033137 1.271456
H -3.840567 0.150930 1.453905
H -4.548815 -1.513165 1.493691
H -1.304515 -3.178114 -0.210729
H 0.811785 -4.407119 -0.760611
H 3.150731 0.536360 -1.659380
H 4.288323 -0.863398 -1.834937
H 3.297360 -4.508999 -0.552342
H 3.660838 -3.335739 -1.841277
H 4.232169 -3.020497 -0.182220
H 3.824988 2.386786 0.070782
H 6.645164 -0.523680 -1.493003
H 5.735295 3.859263 0.770696
H 8.555592 0.951633 -0.809691
H 8.102878 3.144354 0.328071


