%chk=000199104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199104

0 1
O 1.843616 0.286951 0.515951
O 4.054762 0.653879 1.745123
O -3.731715 -0.585440 -2.399471
N 5.424287 0.505657 -0.067493
C 5.642180 0.292731 -1.518829
C 6.636613 0.626474 0.792897
C 4.165561 0.520535 0.542410
C 2.967897 0.377814 -0.399912
C 5.558837 -1.185032 -1.900106
C 7.221836 2.035431 0.735571
C 0.590019 0.174646 -0.029069
C -2.070205 -0.050962 -0.810024
C -0.414729 0.079386 0.961422
C 0.286641 0.149589 -1.397568
C -1.736426 -0.033400 0.559726
C -1.052528 0.028202 -1.773449
C -3.473353 -0.189159 -1.279493
C -4.569852 0.180594 -0.325189
C -4.556181 1.415765 0.336615
C -5.636164 -0.708619 -0.135898
C -5.604069 1.753839 1.196953
C -6.677196 -0.370367 0.733618
C -6.661264 0.859575 1.399248
H 4.907077 0.890024 -2.102781
H 6.644360 0.698033 -1.793252
H 6.350127 0.378017 1.846072
H 7.386340 -0.128229 0.471622
H 2.846216 1.268299 -1.042484
H 3.016514 -0.547908 -1.003476
H 6.292034 -1.786960 -1.347218
H 4.573073 -1.615824 -1.684807
H 5.756695 -1.329721 -2.968686
H 7.532335 2.319527 -0.275001
H 6.491308 2.782963 1.074979
H 8.098018 2.119909 1.389494
H -0.127748 0.094871 2.012332
H 1.055467 0.216936 -2.157747
H -2.524428 -0.117535 1.313022
H -1.321596 -0.007983 -2.834771
H -3.733681 2.113186 0.175259
H -5.652500 -1.657557 -0.674587
H -5.597935 2.714622 1.709068
H -7.503552 -1.062803 0.886149
H -7.475090 1.123844 2.073379


%chk=000199104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199104

0 1
O 1.929887 0.260120 0.701809
O 4.305785 0.847135 1.807357
O -3.690373 -0.764925 -2.274256
N 5.510207 0.478090 -0.150513
C 5.596797 0.171254 -1.596497
C 6.785481 0.698762 0.577957
C 4.325530 0.579773 0.571680
C 3.030514 0.372058 -0.247558
C 5.822128 -1.329535 -1.891997
C 7.214971 2.180905 0.577086
C 0.637334 0.143356 0.182074
C -2.076432 -0.080741 -0.630053
C -0.388994 0.042860 1.156324
C 0.313739 0.115020 -1.201656
C -1.728977 -0.061887 0.752645
C -1.033049 -0.006510 -1.589439
C -3.478802 -0.257820 -1.124224
C -4.649349 0.162380 -0.275157
C -4.591045 1.261860 0.623674
C -5.882091 -0.522509 -0.450621
C -5.741683 1.657753 1.340695
C -7.024654 -0.138136 0.278637
C -6.957246 0.953687 1.178429
H 4.687727 0.527901 -2.112275
H 6.433616 0.762507 -2.014747
H 6.640923 0.355932 1.616295
H 7.560556 0.065034 0.107770
H 2.871148 1.242903 -0.919301
H 3.090357 -0.545345 -0.867415
H 6.744283 -1.693357 -1.405054
H 4.981414 -1.941708 -1.519810
H 5.919686 -1.499209 -2.980005
H 7.339556 2.568247 -0.451198
H 6.458110 2.793761 1.095016
H 8.178230 2.301086 1.105865
H -0.104850 0.045392 2.212557
H 1.090300 0.180570 -1.969405
H -2.509285 -0.164575 1.513089
H -1.304487 -0.052116 -2.649443
H -3.660311 1.827811 0.735188
H -5.919509 -1.347152 -1.170136
H -5.691559 2.516227 2.019565
H -7.966940 -0.680867 0.145460
H -7.847044 1.257810 1.741185


