%chk=000291364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291364

0 1
O 1.510115 3.225718 -0.823660
O -3.551381 2.015815 0.530058
O 6.521665 -3.591888 2.158719
N 2.248025 0.742864 -0.779120
N -3.110988 -0.527970 0.380527
C -0.031682 1.500521 -0.307672
C -1.400854 1.176196 -0.004340
C 0.917654 0.473934 -0.457310
C -1.799214 -0.171873 0.088237
C -0.624027 3.986957 -0.225959
C -1.948994 3.670666 0.101502
C 0.374519 2.907217 -0.474708
C -2.382088 2.248127 0.224426
C 0.489672 -0.902957 -0.339210
C -0.806056 -1.211252 -0.078096
C -0.229497 5.327845 -0.329895
C -2.878912 4.695636 0.322768
C 3.340029 -0.163560 -0.594224
C -3.658044 -1.845615 0.235454
C -1.159161 6.348137 -0.106627
C -2.482329 6.032425 0.218370
C 5.561900 -1.848869 -0.293102
C 3.437277 -1.002170 0.531744
C 4.364608 -0.155334 -1.560761
C 4.539937 -1.842695 0.669568
C 5.466850 -0.994474 -1.402468
C 6.739341 -2.773154 -0.149944
C -4.482675 -2.334542 1.267714
C -3.439400 -2.614604 -0.920292
C -4.844885 -4.375162 -0.005079
C -5.070052 -3.590913 1.140101
C -4.027726 -3.875266 -1.030099
C 7.320281 -2.797679 1.268803
C -5.481835 -5.721105 -0.121817
H 1.226423 -1.698092 -0.487055
H -1.112614 -2.255574 0.029897
H 2.500571 1.721765 -1.040816
H -3.784569 0.226277 0.642198
H 0.808381 5.559597 -0.587792
H -3.910507 4.433393 0.576898
H -0.850588 7.390276 -0.187123
H -3.206737 6.828158 0.391093
H 2.669915 -0.981186 1.304588
H 4.296893 0.499708 -2.428056
H 4.624907 -2.494067 1.547057
H 6.256325 -0.982084 -2.153092
H 6.426635 -3.797309 -0.447229
H 7.542128 -2.494812 -0.864106
H -4.657713 -1.735368 2.160650
H -2.829467 -2.224424 -1.734337
H -5.708543 -3.969041 1.937887
H -3.854534 -4.468960 -1.926887
H 7.296387 -1.800548 1.751217
H 8.353008 -3.189104 1.276184
H -5.161363 -6.267326 -1.018380
H -5.243084 -6.356149 0.743204
H -6.577599 -5.637326 -0.171591
H 6.465875 -4.514381 1.843882


%chk=000291364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291364

0 1
O 1.630701 3.161649 -0.626138
O -3.664907 1.887129 0.402474
O 6.819269 -3.957551 1.750125
N 2.302170 0.703150 -0.514890
N -3.147849 -0.607978 0.269366
C -0.016485 1.425597 -0.224861
C -1.410294 1.090309 -0.011005
C 0.973077 0.377844 -0.308251
C -1.816491 -0.293179 0.061662
C -0.622047 3.889681 -0.225186
C -1.985490 3.561387 0.026888
C 0.396297 2.825743 -0.366998
C -2.412090 2.149741 0.146858
C 0.532529 -0.988876 -0.213258
C -0.803870 -1.310237 -0.043113
C -0.236122 5.251236 -0.338915
C -2.944696 4.599045 0.164172
C 3.450545 -0.127135 -0.432162
C -3.791179 -1.871450 0.195336
C -1.193216 6.272462 -0.201768
C -2.553171 5.944985 0.050718
C 5.878026 -1.650027 -0.289194
C 3.598175 -1.172499 0.520443
C 4.543241 0.166044 -1.292335
C 4.787586 -1.926744 0.577934
C 5.733959 -0.581726 -1.213078
C 7.172915 -2.454465 -0.250863
C -4.880044 -2.112937 1.078534
C -3.460780 -2.866518 -0.763514
C -5.258020 -4.336335 0.081039
C -5.597277 -3.321935 1.016326
C -4.182439 -4.078744 -0.805437
C 7.651788 -2.896057 1.149718
C -6.037675 -5.638233 0.025305
H 1.265865 -1.793362 -0.305847
H -1.091960 -2.360367 0.044385
H 2.422184 1.738607 -0.685973
H -3.724868 0.259177 0.446485
H 0.817792 5.471626 -0.532826
H -3.983446 4.315773 0.358294
H -0.891250 7.321868 -0.288578
H -3.296362 6.742739 0.156761
H 2.804262 -1.366660 1.248521
H 4.446670 0.978930 -2.020828
H 4.892769 -2.724020 1.321249
H 6.564794 -0.332132 -1.884870
H 7.077716 -3.362629 -0.886649
H 7.980209 -1.851039 -0.711953
H -5.146278 -1.348080 1.816725
H -2.678262 -2.677547 -1.505003
H -6.430863 -3.486569 1.710083
H -3.913952 -4.831125 -1.556820
H 7.588754 -2.061384 1.866828
H 8.708391 -3.233411 1.092254
H -5.602748 -6.339329 -0.707451
H -6.050242 -6.143343 1.009287
H -7.091968 -5.464025 -0.262646
H 6.868859 -4.762677 1.174537


