%chk=000196017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196017

0 1
O 0.788313 0.605484 0.515770
O -0.146502 -0.977049 1.846710
O 3.595837 -2.040276 -0.878053
O 2.142856 -0.226984 -2.035011
O 2.323815 -2.524886 1.716448
O 0.862114 3.364602 -0.504540
O -2.703983 -1.893238 -0.788663
O -1.948633 2.429565 0.660270
N -2.478516 0.165580 0.317189
C 3.107386 -1.065356 0.054762
C 2.824711 0.165043 -0.840044
C 1.834344 -1.590061 0.746966
C 1.928947 1.209945 -0.136370
C 1.105234 -0.432073 1.466318
C 1.281854 2.167936 -1.153500
C -1.103919 -0.033549 2.403116
C -2.437451 -0.331706 1.707161
C -2.520222 -0.708940 -0.833883
C -2.153597 1.504051 -0.083339
C -2.343743 0.214855 -2.024698
C -2.147173 1.467938 -1.600726
H 3.906930 -0.868748 0.805951
H 3.791476 0.628883 -1.155413
H 1.149655 -2.103261 0.032145
H 2.505720 1.767703 0.636226
H 1.641790 -0.001004 2.331726
H 0.433804 1.674189 -1.663819
H 2.014856 2.517477 -1.906226
H 3.672597 -2.918041 -0.431250
H 2.492461 -1.105573 -2.345277
H -1.148975 -0.266956 3.481923
H -0.772757 1.011129 2.248538
H 1.562862 -2.962481 2.167729
H -2.614181 -1.437500 1.684490
H -3.271767 0.137917 2.279349
H 0.096209 3.179626 0.098600
H -2.389437 -0.180244 -3.028557
H -1.997716 2.377504 -2.164422


%chk=000196017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196017

0 1
O 0.725620 0.585977 0.331462
O -0.221162 -1.050339 1.737715
O 3.829147 -1.995111 -0.775741
O 2.309078 -0.186164 -2.122320
O 2.176727 -2.693496 1.459015
O 0.863575 3.463665 -0.333810
O -3.196240 -1.958460 -0.438385
O -1.725899 2.403258 0.474496
N -2.511565 0.162712 0.402286
C 3.126267 -1.007748 0.051505
C 2.897148 0.227370 -0.848754
C 1.802769 -1.585817 0.573288
C 1.964645 1.243674 -0.157473
C 1.019602 -0.482160 1.295739
C 1.507226 2.386989 -1.074240
C -1.104915 -0.103785 2.455049
C -2.508965 -0.169305 1.830616
C -2.807173 -0.782074 -0.627125
C -2.081071 1.376718 -0.167464
C -2.569025 -0.067087 -1.931338
C -2.141688 1.195657 -1.662119
H 3.748766 -0.725681 0.927784
H 3.880664 0.716224 -1.024101
H 1.175904 -1.936840 -0.271472
H 2.501889 1.680543 0.714514
H 1.600957 -0.055038 2.149914
H 0.860379 1.964317 -1.868469
H 2.391207 2.840615 -1.554231
H 3.818530 -2.858072 -0.286659
H 2.796394 -1.012319 -2.388643
H -1.164591 -0.415161 3.515124
H -0.700233 0.920363 2.383837
H 1.345926 -3.099453 1.814353
H -2.915256 -1.193181 1.908564
H -3.176336 0.519829 2.381652
H -0.031095 3.167433 -0.002667
H -2.728835 -0.553234 -2.893314
H -1.873172 1.996680 -2.350992


