%chk=000184282.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184282

0 1
O -2.578204 2.269610 0.566585
O -1.911586 -1.812626 0.052877
O -3.331964 -0.646030 -1.259884
N 0.271067 -0.166986 1.009362
C -0.584387 0.902091 0.661788
C 0.067239 1.777031 -0.197123
C -1.939159 1.153467 1.240585
C -0.579572 3.016347 -0.690200
C 1.372605 1.232277 -0.463118
C 1.468043 0.005682 0.280825
C -1.727503 3.396900 0.258067
C -2.959192 0.016374 1.076626
C 2.651188 -0.774203 0.275539
C 2.462562 1.658564 -1.245379
C 2.780601 -2.017069 1.110635
C 3.695360 -0.322501 -0.517999
C 3.602061 0.876053 -1.272119
C -2.794050 -0.774399 -0.190336
C 2.346092 -3.266478 0.347739
C -1.597890 -2.697334 -1.078074
C -1.145607 -3.990957 -0.437457
H -1.853255 1.436177 2.319510
H 0.145402 3.849016 -0.774555
H -0.972444 2.840794 -1.716700
H -0.070891 -1.059439 1.333276
H -1.350731 3.824455 1.202848
H -2.453966 4.083897 -0.213904
H -3.981490 0.474155 1.066142
H -2.919707 -0.658829 1.956494
H 2.393402 2.584276 -1.810246
H 3.833931 -2.134301 1.445099
H 2.195296 -1.917674 2.047316
H 4.622162 -0.892363 -0.568042
H 4.457369 1.175899 -1.874534
H 1.261357 -3.264575 0.147309
H 2.579657 -4.176632 0.910560
H 2.852934 -3.337055 -0.622877
H -2.503696 -2.809668 -1.702316
H -0.805807 -2.186566 -1.652940
H -1.048993 -4.790734 -1.181667
H -0.165864 -3.872289 0.060603
H -1.857772 -4.329055 0.327584


%chk=000184282-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184282

0 1
O -2.605939 1.997241 0.365119
O -1.635076 -2.054918 0.112314
O -3.429393 -1.002013 -0.951533
N 0.504496 -0.039018 1.039973
C -0.439304 0.925619 0.650467
C 0.136834 1.805355 -0.262953
C -1.838361 1.057952 1.202721
C -0.629665 2.976241 -0.826462
C 1.498437 1.358075 -0.484402
C 1.699193 0.191288 0.337227
C -1.858713 3.240829 0.073312
C -2.681077 -0.243937 1.286968
C 2.923905 -0.522026 0.383045
C 2.570266 1.830785 -1.286985
C 3.101977 -1.761287 1.248130
C 3.962924 -0.019375 -0.432295
C 3.793135 1.133939 -1.253554
C -2.662909 -1.094517 0.028363
C 2.421278 -3.027671 0.658524
C -1.478998 -2.957131 -1.073765
C -2.402179 -4.172441 -0.953957
H -1.791572 1.470786 2.239834
H -0.004306 3.890576 -0.865162
H -0.961959 2.765963 -1.862061
H 0.266359 -0.910552 1.510026
H -1.536790 3.709252 1.029453
H -2.598032 3.892028 -0.420546
H -3.720952 0.066863 1.483921
H -2.320105 -0.850480 2.136015
H 2.449006 2.717460 -1.919376
H 4.181751 -1.964197 1.372855
H 2.701310 -1.575493 2.265991
H 4.932838 -0.532308 -0.424898
H 4.634879 1.481782 -1.863059
H 1.331198 -2.884312 0.538593
H 2.578412 -3.902402 1.316352
H 2.838389 -3.263811 -0.336666
H -1.697074 -2.373358 -1.984743
H -0.413736 -3.238047 -1.051261
H -2.216571 -4.865552 -1.795485
H -2.218982 -4.717949 -0.011869
H -3.460296 -3.863935 -0.990269


