%chk=000194438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194438

0 1
O 0.045094 2.366633 0.529632
O 5.347010 -2.201361 0.169477
O 0.444142 -2.617904 0.236584
O -5.688100 -1.088616 1.554432
O -1.901832 -2.879918 -1.421307
O 6.224596 -0.210396 -0.369396
O 1.170678 -1.059244 -1.189178
O -5.963804 0.947241 0.656129
O -4.133220 -2.959566 -1.552562
N 3.137360 -0.302307 0.797997
N -3.046692 -0.520811 0.223654
C 1.317992 3.025532 0.678788
C -0.317854 1.973351 -0.826766
C 1.422645 4.245638 -0.249909
C -0.301559 3.195273 -1.754919
C 1.064945 3.887279 -1.696920
C 2.475112 2.033703 0.474937
C -1.727943 1.396915 -0.645253
C 2.299919 0.799477 1.372398
C -1.660794 -0.007801 -0.031139
C 4.501584 -0.350751 1.393093
C 2.467848 -1.631039 0.862309
C -3.713480 0.201729 1.345705
C -3.046026 -1.997096 0.455749
C 5.442106 -0.830301 0.302167
C 1.361534 -1.668557 -0.167627
C -5.208683 0.126748 1.106985
C -3.173263 -2.632241 -0.911822
H 1.250748 3.344787 1.746036
H 0.415326 1.201610 -1.161100
H 0.730865 5.031179 0.114879
H 2.436404 4.682267 -0.200723
H -0.535154 2.887915 -2.790880
H -1.094558 3.908507 -1.456596
H 1.843841 3.230947 -2.133043
H 1.053473 4.800934 -2.320751
H 3.443934 2.528581 0.662150
H 2.517352 1.707450 -0.589000
H -2.263885 1.362828 -1.614536
H -2.320159 2.079458 0.001827
H 1.221797 0.507827 1.363979
H 2.546361 1.034767 2.427223
H -1.028781 0.009570 0.884041
H -1.167766 -0.699656 -0.759919
H 4.824076 0.675770 1.695762
H 4.597506 -1.001935 2.290968
H 2.067390 -1.906640 1.864716
H 3.209121 -2.434952 0.592201
H -3.409582 1.281924 1.322859
H -3.464812 -0.181931 2.360178
H -3.942457 -2.302724 1.061002
H -2.147433 -2.381806 0.990149
H 5.924229 -2.559265 -0.557385
H -0.298273 -2.760031 -0.438098
H -6.658785 -1.211891 1.374787
H -1.910493 -3.252503 -2.340662


%chk=000194438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194438

0 1
O 0.145547 2.453303 0.814663
O 4.427170 -1.967016 -0.980603
O 0.667836 -2.986725 0.607111
O -5.647760 -1.060273 -0.351403
O -1.465947 -3.022852 -1.101763
O 4.921269 0.261166 -1.428866
O 1.342042 -1.181216 -0.687337
O -5.259536 1.229868 -0.509721
O -2.946354 -1.367352 -1.776473
N 3.263648 -0.454328 1.452819
N -2.942084 -0.540490 1.162651
C 1.542579 2.947557 0.652647
C -0.458640 1.945868 -0.449037
C 1.595411 4.051837 -0.428950
C -0.452734 3.044877 -1.530543
C 0.981467 3.574559 -1.766532
C 2.527143 1.779024 0.409048
C -1.865217 1.446210 -0.090521
C 2.619456 0.859201 1.653983
C -1.837624 0.442484 1.098451
C 4.629456 -0.512671 0.936422
C 2.467769 -1.663487 1.500790
C -4.312103 -0.081086 1.400321
C -2.704398 -1.885275 0.677032
C 4.699474 -0.642793 -0.595151
C 1.474350 -1.887106 0.341374
C -5.110620 0.155240 0.107736
C -2.444463 -2.010129 -0.840240
H 1.754167 3.397155 1.643561
H 0.142856 1.080542 -0.805285
H 1.021834 4.926216 -0.063171
H 2.643815 4.378084 -0.572117
H -0.879364 2.637125 -2.467654
H -1.108508 3.874991 -1.199654
H 1.608250 2.775629 -2.209550
H 0.968031 4.408250 -2.493605
H 3.523983 2.194391 0.164581
H 2.216690 1.174200 -0.459162
H -2.289939 0.957316 -0.986152
H -2.522489 2.302994 0.148786
H 1.590617 0.672538 2.015435
H 3.149665 1.408546 2.464162
H -1.801123 1.009490 2.047643
H -0.897177 -0.139497 1.049453
H 5.162286 0.412686 1.214404
H 5.168991 -1.374735 1.375595
H 1.861533 -1.702237 2.429460
H 3.128028 -2.551050 1.527363
H -4.270293 0.875485 1.947765
H -4.863716 -0.819185 2.014075
H -3.589496 -2.517343 0.886687
H -1.842534 -2.345762 1.198149
H 4.354570 -2.014819 -1.972391
H -0.049870 -3.102950 -0.101568
H -6.038544 -0.928636 -1.257393
H -1.319802 -3.093225 -2.084025


