%chk=000196887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196887

0 1
O -3.135851 -0.093246 -0.619797
O -3.321004 0.474314 2.570716
O -4.603665 2.177289 1.262153
O -3.494400 2.595733 -2.820958
O -0.465712 1.663983 -0.104716
O 2.803914 -1.282770 -1.372143
N -0.949552 -0.580039 0.157959
N 1.175052 0.183189 -0.752746
N -1.378620 -2.899454 0.457151
C -2.373909 -0.314968 0.568864
C -2.531912 0.935176 1.469701
C -3.352102 1.956086 0.625575
C -3.520194 1.305737 -0.765773
C -2.658874 1.923620 -1.877131
C -0.508465 -1.921771 0.037778
C -0.096463 0.506982 -0.227505
C 0.782987 -2.217537 -0.475593
C 1.691062 -1.152572 -0.902990
C 2.088770 1.332996 -1.067910
C 1.174654 -3.582770 -0.559686
C 0.275193 -4.566871 -0.133564
C 2.885151 1.720185 0.152666
C -0.979470 -4.188762 0.365938
C 2.507261 -3.963187 -1.086362
C 4.117196 1.102017 0.408968
C 2.391933 2.695076 1.031254
C 4.861450 1.474179 1.531432
C 3.140614 3.063322 2.152123
C 4.376219 2.456502 2.401310
H -2.815858 -1.241108 1.033226
H -1.581208 1.353942 1.859293
H -2.897051 2.969668 0.591018
H -4.590105 1.255465 -1.070960
H -2.055038 1.145419 -2.379810
H -1.985148 2.726936 -1.513533
H -3.693096 1.253322 3.060223
H -5.105843 1.326898 1.348152
H 1.474960 2.187550 -1.440166
H 2.759351 1.018717 -1.905229
H -3.993693 1.949537 -3.362072
H 0.542981 -5.619971 -0.186513
H -1.708888 -4.935644 0.713115
H 3.322822 -3.497023 -0.501223
H 2.685246 -5.045101 -1.103572
H 2.662392 -3.579888 -2.113209
H 4.485376 0.325756 -0.265054
H 1.420944 3.156159 0.841319
H 5.820070 0.997454 1.728931
H 2.760288 3.823331 2.832609
H 4.959037 2.747041 3.273540


%chk=000196887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196887

0 1
O -2.729999 0.183413 -1.265990
O -3.712872 0.434410 1.951283
O -4.234901 2.784837 0.882815
O -5.044595 3.050631 -2.005905
O -0.251422 1.675247 -0.317504
O 3.099892 -1.466648 -1.125002
N -0.802409 -0.582945 -0.072354
N 1.414517 0.083291 -0.701333
N -1.351750 -2.840952 0.340610
C -2.236087 -0.247822 0.063223
C -2.600105 0.874095 1.085383
C -3.207457 2.000334 0.209121
C -3.754309 1.225332 -1.017832
C -3.942640 2.111602 -2.251874
C -0.402636 -1.941971 -0.041769
C 0.098145 0.463701 -0.363198
C 0.937028 -2.304089 -0.387033
C 1.902950 -1.250708 -0.768375
C 2.382081 1.192940 -0.999411
C 1.300098 -3.690283 -0.342427
C 0.295874 -4.610408 0.044623
C 3.140986 1.661826 0.238166
C -0.995418 -4.149794 0.373868
C 2.681333 -4.202151 -0.681978
C 4.393577 1.085500 0.570961
C 2.609876 2.689392 1.060033
C 5.101977 1.525996 1.711462
C 3.318852 3.128979 2.200404
C 4.566335 2.548324 2.529263
H -2.729350 -1.190711 0.353022
H -1.738391 1.210313 1.685099
H -2.414061 2.694371 -0.100215
H -4.722125 0.749694 -0.749166
H -4.238467 1.515611 -3.130520
H -2.994042 2.642396 -2.478385
H -3.376428 -0.101640 2.708986
H -4.687703 2.168358 1.522594
H 1.786401 2.012743 -1.429495
H 3.075258 0.792406 -1.755519
H -4.982829 3.373225 -1.064389
H 0.520552 -5.679568 0.092211
H -1.781206 -4.848747 0.680124
H 3.452399 -3.731528 -0.048016
H 2.724065 -5.297294 -0.557501
H 2.963508 -3.941237 -1.716521
H 4.799721 0.289222 -0.062866
H 1.642377 3.134019 0.800578
H 6.070677 1.077512 1.959224
H 2.903773 3.926614 2.826873
H 5.117755 2.893062 3.411452


