%chk=000196690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196690

0 1
O -1.608149 -1.730466 1.632542
O 1.190451 -1.264279 0.979796
O 2.335684 -0.339656 -0.715196
O -2.142980 -4.750709 1.086795
O -4.069795 -3.444404 -0.011177
O 1.079994 2.022243 1.602578
O 4.115155 0.961944 2.417376
O 5.101609 2.036978 -0.374562
O 3.174925 0.640944 -3.584298
O 0.200596 2.377622 -1.313724
N -2.755166 -0.260264 0.188449
N -1.764519 0.107081 -0.665469
N -3.067960 1.940068 -0.171441
N -1.530153 3.076058 -2.620758
C -0.706271 -2.735502 1.078949
C -1.627911 -3.689652 0.285931
C -2.825355 -2.793251 -0.156775
C -2.789890 -1.596130 0.843204
C 1.978844 0.921217 1.465852
C 1.425493 -0.002513 0.359367
C 3.406476 1.481306 1.279717
C 4.148350 1.041869 -0.001741
C 0.385101 -2.154323 0.173639
C 3.166976 0.752583 -1.153429
C 3.871916 0.219681 -2.408689
C -3.553789 0.875120 0.495366
C -1.946121 1.444946 -0.859743
C -0.990460 2.328866 -1.593936
H -0.264717 -3.174199 2.003699
H -1.143007 -4.221216 -0.560209
H -2.770125 -2.473862 -1.220654
H -3.645146 -1.605913 1.565457
H 1.916044 0.408036 2.467352
H 0.510874 0.415032 -0.117733
H 3.379984 2.595139 1.358164
H 4.789554 0.150486 0.214732
H -0.025029 -1.633023 -0.711654
H 1.083589 -2.948511 -0.158860
H 2.521903 1.629738 -1.401355
H 4.878508 0.669335 -2.534105
H 3.943703 -0.883918 -2.388727
H -2.286054 -4.454314 2.019949
H -3.954972 -4.328458 0.452419
H 0.878383 2.434776 0.721198
H 5.017433 1.348674 2.456842
H 4.663846 2.844158 -0.718837
H -4.413064 0.857484 1.152008
H 2.269666 0.261934 -3.591509
H -0.953853 3.746751 -3.111282
H -2.525874 3.135395 -2.776618


%chk=000196690-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196690

0 1
O -1.800772 -1.929400 1.588803
O 0.968039 -1.080198 0.882412
O 2.914949 -0.802868 -0.388011
O -2.349153 -4.715173 0.683859
O -4.070345 -3.298335 -0.814856
O 0.962631 1.786648 1.567110
O 3.752157 2.807345 1.549624
O 5.267486 2.118734 -0.832194
O 4.262210 -1.781843 -2.661222
O -0.253782 2.762009 -0.860825
N -3.009399 -0.227291 0.364357
N -1.923288 0.427710 -0.204734
N -3.681780 1.896288 0.168124
N -2.239657 3.984690 -1.007491
C -0.800539 -2.749760 0.819531
C -1.707199 -3.618866 -0.066462
C -2.826640 -2.623591 -0.516796
C -2.942567 -1.658592 0.717599
C 2.133471 1.028576 1.161506
C 1.727019 -0.097700 0.179060
C 3.199708 1.943027 0.509057
C 4.342207 1.163726 -0.176041
C 0.198267 -1.942800 -0.014921
C 3.796085 0.110543 -1.153154
C 4.869854 -0.790682 -1.770463
C -4.044735 0.665111 0.581657
C -2.372968 1.709762 -0.286981
C -1.522497 2.845607 -0.750061
H -0.262333 -3.322801 1.593321
H -1.195742 -4.097700 -0.914235
H -2.533301 -2.063243 -1.419891
H -3.869600 -1.871092 1.278584
H 2.545410 0.583106 2.082494
H 1.144737 0.329756 -0.672705
H 2.688589 2.555596 -0.276113
H 4.970259 0.679011 0.591358
H -0.316294 -1.318359 -0.770714
H 0.874653 -2.659476 -0.526643
H 3.203963 0.597826 -1.964179
H 5.560279 -0.198719 -2.391096
H 5.443980 -1.280661 -0.956044
H -2.411334 -4.458500 1.641353
H -4.047459 -4.158084 -0.303444
H 0.539629 2.173564 0.744570
H 4.544238 3.260686 1.154871
H 4.782401 2.574183 -1.570298
H -4.999465 0.390373 1.021113
H 3.555894 -2.236966 -2.132344
H -1.746840 4.835850 -1.274283
H -3.245733 3.993876 -0.825264


