%chk=000180206.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180206

0 1
O 3.355407 -2.231560 -1.623172
O 4.157626 -4.011553 -0.274188
O -0.388427 2.405872 -1.041491
O 0.709948 1.699674 -2.766358
O -5.418509 1.617019 -1.436079
O -6.504388 1.265543 0.643547
O 4.109193 5.465310 2.058147
N -0.832001 -0.854074 -1.344348
N 0.393439 1.657075 -1.589017
C 0.663129 -0.818283 -1.268102
C 1.061645 0.584988 -0.718227
C 1.217785 -1.915973 -0.396156
C -1.476086 -1.069749 -0.060566
C 0.461997 -2.411979 0.711115
C -0.849143 -1.791623 0.959203
C 2.580427 0.812975 -0.762012
C 2.431264 -2.526880 -0.629209
C -2.762191 -0.466662 0.141143
C -1.326242 -1.795409 -2.393689
C 0.947082 -3.463844 1.495199
C -1.497892 -1.921352 2.218232
C -3.405005 -0.648951 1.399211
C 2.914747 -3.592407 0.183700
C 2.980757 2.064815 -0.033743
C 2.193553 -4.080027 1.250791
C -2.742255 -1.379543 2.428079
C -3.384372 0.328728 -0.892229
C -4.711235 -0.090266 1.657413
C 4.464693 -3.176142 -1.437078
C -4.610883 0.839960 -0.616367
C -5.276449 0.627853 0.653163
C 3.139156 3.269250 -0.734817
C 3.200846 2.030279 1.355456
C -6.619039 1.927044 -0.661093
C 3.517646 4.436485 -0.068548
C 3.579183 3.178939 2.043342
C 3.731568 4.371924 1.315217
H 1.075488 -0.916607 -2.313362
H 0.672282 0.712408 0.328098
H 2.930140 0.839900 -1.819413
H 3.101133 -0.066807 -0.323058
H -1.016453 -1.414505 -3.382156
H -2.429477 -1.821444 -2.381865
H -0.959413 -2.826841 -2.275643
H 0.346472 -3.838165 2.326483
H -0.992262 -2.461769 3.019871
H 2.556708 -4.895467 1.871049
H -3.239103 -1.493541 3.391523
H -2.862259 0.526007 -1.829641
H -5.195773 -0.244497 2.616717
H 5.365441 -2.592076 -1.206500
H 4.504778 -3.826192 -2.321235
H 2.960890 3.301984 -1.811905
H 3.073092 1.095451 1.902133
H -7.480487 1.489848 -1.182655
H -6.640197 3.011331 -0.486221
H 3.634567 5.367843 -0.613027
H 3.753459 3.176558 3.116880
H 4.178597 6.283024 1.507458


%chk=000180206-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180206

0 1
O 3.372235 -2.326992 -1.674130
O 4.196962 -4.132436 -0.333346
O -0.400099 2.431049 -0.890831
O 0.746291 1.652521 -2.699232
O -5.428559 1.603820 -1.474731
O -6.634682 1.110803 0.535185
O 4.089856 5.810763 1.906170
N -0.775087 -0.900431 -1.274079
N 0.428322 1.628411 -1.448202
C 0.700399 -0.823218 -1.178012
C 1.108495 0.560704 -0.578459
C 1.252340 -1.975170 -0.352238
C -1.456165 -1.094109 -0.027282
C 0.489738 -2.449422 0.769643
C -0.829025 -1.824944 1.018089
C 2.638976 0.810932 -0.577129
C 2.444427 -2.638515 -0.640448
C -2.770974 -0.527316 0.150406
C -1.291151 -1.615370 -2.468667
C 0.993053 -3.526149 1.551714
C -1.531711 -2.001685 2.255324
C -3.483714 -0.784091 1.389335
C 2.931383 -3.700982 0.146282
C 3.038884 2.136294 0.052711
C 2.226874 -4.163019 1.261093
C -2.825558 -1.519884 2.428323
C -3.366745 0.310185 -0.861046
C -4.809821 -0.257636 1.589979
C 4.352081 -3.447689 -1.642754
C -4.638459 0.792081 -0.624011
C -5.356257 0.504977 0.576241
C 3.231590 3.294269 -0.740592
C 3.210137 2.248678 1.458164
C -6.618340 1.979342 -0.671654
C 3.580742 4.530383 -0.154658
C 3.558140 3.473205 2.059809
C 3.740955 4.617023 1.248729
H 1.110383 -0.858252 -2.203633
H 0.674792 0.703630 0.425551
H 2.996316 0.740957 -1.620330
H 3.093088 -0.026891 -0.018570
H -0.959456 -1.095823 -3.384976
H -2.391941 -1.619989 -2.449313
H -0.946464 -2.671547 -2.507695
H 0.400086 -3.910483 2.386262
H -1.043282 -2.530822 3.080049
H 2.604701 -4.986360 1.871993
H -3.351853 -1.681562 3.375678
H -2.804401 0.588048 -1.753999
H -5.350216 -0.451048 2.520275
H 5.369098 -3.036092 -1.715759
H 4.108502 -4.159575 -2.454787
H 3.104284 3.232765 -1.827840
H 3.074139 1.363335 2.091969
H -7.526311 1.786521 -1.263053
H -6.521826 3.034124 -0.353519
H 3.724010 5.416717 -0.786518
H 3.692590 3.563817 3.141639
H 4.172826 6.556046 1.260877


