%chk=000181852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181852

0 1
O 1.080373 0.304136 1.755713
O 1.723649 -1.062329 -1.468270
O 3.860858 0.208038 -0.662366
O 1.738759 -2.871679 1.632472
O -0.758280 -0.591551 0.656911
O 0.935428 2.790276 -0.284604
O 1.821672 -3.159123 -2.308141
O 4.920956 1.546533 0.819396
O 0.011421 -4.326854 1.472274
O 2.826187 3.383778 -1.383995
O -1.591139 -0.247897 -1.765875
O -5.982756 2.154640 -0.078656
C 2.291129 -1.501042 -0.210099
C 2.978098 -0.261253 0.384501
C 1.118870 -1.979165 0.671819
C 1.959843 0.846223 0.739688
C 0.398909 -0.893284 1.499768
C 1.215656 1.377321 -0.485650
C -1.776072 0.191779 1.121828
C 1.492395 -2.009811 -2.463223
C 4.780820 1.202257 -0.328750
C 1.099099 -4.080186 1.921808
C -2.785514 0.452495 0.173543
C -1.859431 0.683833 2.445451
C 0.815191 -1.328369 -3.590545
C 5.430491 1.673549 -1.572370
C 1.827854 3.711921 -0.782247
C -3.930938 1.157731 0.610330
C 1.983837 -4.860106 2.821479
C -2.647519 0.042966 -1.243672
C -2.984007 1.395092 2.827768
C -4.033950 1.623436 1.914108
C -5.066622 1.408996 -0.344641
C 1.340609 5.079011 -0.456456
C -3.913302 0.039175 -2.050749
C -5.013696 0.671184 -1.644267
H 3.012865 -2.333227 -0.396225
H 3.585427 -0.536226 1.280861
H 0.363993 -2.538253 0.050610
H 2.444137 1.677402 1.315596
H 0.076686 -1.238285 2.506230
H 0.204714 0.930102 -0.616149
H 1.804318 1.231114 -1.417518
H -1.033502 0.531985 3.140354
H 0.640725 -2.016984 -4.429748
H -0.169756 -0.924457 -3.264039
H 1.388672 -0.463239 -3.958131
H 4.852087 2.535182 -1.976925
H 5.447325 0.909243 -2.364287
H 6.457415 2.019912 -1.387991
H 1.429381 -5.229575 3.699551
H 2.386013 -5.744769 2.296988
H 2.846795 -4.275756 3.183427
H -3.065265 1.786508 3.844309
H -4.924467 2.175718 2.226145
H 2.069702 5.612768 0.174630
H 1.205882 5.675981 -1.372360
H 0.378340 5.065973 0.081991
H -3.850767 -0.502779 -2.997735
H -5.938595 0.701043 -2.226768


%chk=000181852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181852

0 1
O 1.117357 0.360842 1.556634
O 1.503029 -0.957072 -1.746300
O 3.964108 0.161208 -0.911701
O 1.909334 -2.645851 1.528506
O -0.780151 -0.461719 0.251094
O 1.216123 3.095079 -0.137703
O 1.356108 -3.165601 -2.477285
O 5.326150 0.868757 0.849612
O -0.020326 -3.760304 2.218030
O 3.415003 3.616783 -0.718992
O -2.178900 -0.890605 -2.018412
O -6.614661 1.376913 0.271385
C 2.170102 -1.449870 -0.521779
C 2.981412 -0.308748 0.084742
C 1.110766 -1.927502 0.496916
C 2.100751 0.876207 0.557442
C 0.326581 -0.787204 1.187909
C 1.456086 1.689526 -0.580530
C -1.900696 0.197324 0.766321
C 1.132373 -1.952870 -2.681270
C 5.101513 0.819347 -0.377937
C 1.212327 -3.589252 2.316002
C -3.097436 0.196002 -0.023050
C -1.870910 0.852173 2.027988
C 0.444528 -1.333591 -3.866548
C 5.906129 1.449032 -1.482627
C 2.301492 3.969225 -0.261499
C -4.265508 0.820346 0.530383
C 2.170244 -4.310847 3.231179
C -3.175409 -0.416060 -1.381815
C -3.031183 1.466901 2.533948
C -4.231606 1.444351 1.795718
C -5.573973 0.820506 -0.206355
C 1.942532 5.346235 0.247436
C -4.508837 -0.444099 -2.050569
C -5.623553 0.135235 -1.517726
H 2.814204 -2.308363 -0.780403
H 3.514164 -0.696848 0.972861
H 0.393298 -2.624448 0.032603
H 2.731722 1.543328 1.166941
H -0.109130 -1.146933 2.136259
H 0.467507 1.308124 -0.861072
H 2.128607 1.695840 -1.453464
H -0.933355 0.914082 2.585011
H 0.458481 -2.035591 -4.713272
H -0.602618 -1.123473 -3.581955
H 0.922184 -0.380720 -4.145091
H 5.460040 2.439778 -1.689564
H 5.859304 0.848631 -2.404250
H 6.948486 1.588213 -1.159704
H 1.607652 -4.928784 3.945307
H 2.837562 -4.958977 2.635600
H 2.807892 -3.589692 3.769223
H -2.990896 1.970879 3.504975
H -5.150020 1.906212 2.169869
H 2.108317 5.386873 1.339783
H 2.589856 6.098543 -0.227656
H 0.881665 5.571451 0.058409
H -4.521694 -0.946146 -3.024797
H -6.593132 0.128328 -2.027661


