%chk=000278038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278038

0 1
O 4.027934 -2.154573 -1.987208
O -1.022097 -1.681489 -1.677137
O -3.810861 2.367421 2.558674
O -2.508081 0.563244 2.391579
N -0.758155 -0.856129 0.470808
C 3.912200 -0.798249 -1.574501
C 2.812190 -0.582695 -0.534777
C 3.358716 0.025147 0.634933
C 5.155641 -0.294399 -0.849913
C 4.805196 0.203339 0.442044
C 1.472287 -0.888066 -0.633044
C 2.537774 0.332795 1.710164
C 0.641168 -0.572706 0.471415
C 6.464689 -0.270954 -1.288775
C 5.775688 0.731729 1.279234
C 1.170569 0.033257 1.627266
C 7.449242 0.263082 -0.432449
C 7.108672 0.756787 0.825187
C -1.499602 -1.382138 -0.601580
C -2.954404 -1.557899 -0.258552
C -3.834221 -0.464529 -0.252028
C -3.369169 0.900381 -0.600429
C -3.423044 -2.844064 0.035235
C -5.186701 -0.667143 0.061342
C -3.055717 1.849518 0.389881
C -3.268143 1.261189 -1.951970
C -4.771811 -3.039061 0.344704
C -5.650664 -1.950865 0.359976
C -2.686119 3.154439 0.029079
C -2.878023 2.554776 -2.307687
C -2.595652 3.504260 -1.319237
C -3.067274 1.479195 1.823246
H 3.714728 -0.260031 -2.528802
H 1.059937 -1.361451 -1.531897
H 2.940746 0.798577 2.607330
H 6.734717 -0.658873 -2.269544
H 5.521706 1.117104 2.262569
H 0.521226 0.272416 2.468706
H 8.485624 0.287428 -0.764115
H 7.881523 1.168762 1.472914
H 4.177816 -2.740341 -1.212299
H -1.274065 -0.593093 1.335157
H -2.734791 -3.691269 0.017396
H -5.874445 0.178645 0.067298
H -3.486996 0.521121 -2.725213
H -5.137338 -4.039830 0.573224
H -6.702218 -2.103989 0.603573
H -2.470053 3.890369 0.806349
H -2.793594 2.824094 -3.362019
H -2.301326 4.515161 -1.600791
H -3.822325 2.142500 3.531185


%chk=000278038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278038

0 1
O 4.142033 -2.383323 -1.883369
O -0.980797 -2.235543 -1.617936
O -3.390437 2.528260 2.826450
O -2.455835 0.457394 2.389518
N -0.789794 -0.842841 0.280936
C 4.010669 -0.957127 -1.528427
C 2.856546 -0.632351 -0.573783
C 3.339657 0.119378 0.537515
C 5.220549 -0.365924 -0.798389
C 4.802474 0.285554 0.400854
C 1.506474 -0.980707 -0.708536
C 2.438902 0.542776 1.537840
C 0.599960 -0.555285 0.308298
C 6.572905 -0.396988 -1.170736
C 5.748424 0.924622 1.230737
C 1.075916 0.204228 1.417916
C 7.526213 0.237590 -0.331529
C 7.113643 0.895134 0.853939
C -1.498756 -1.602868 -0.645250
C -2.979617 -1.669187 -0.344338
C -3.772931 -0.504763 -0.141107
C -3.291770 0.885237 -0.464889
C -3.569656 -2.953080 -0.245484
C -5.136822 -0.661681 0.221300
C -3.090690 1.898805 0.521331
C -3.199443 1.256109 -1.829870
C -4.926930 -3.096020 0.109471
C -5.708170 -1.944562 0.361749
C -2.871609 3.248648 0.138116
C -2.938937 2.591401 -2.209240
C -2.795811 3.596504 -1.224553
C -2.959781 1.530214 1.953123
H 3.862211 -0.479067 -2.514330
H 1.142109 -1.571843 -1.550803
H 2.781957 1.122289 2.401994
H 6.885914 -0.909334 -2.087092
H 5.441710 1.432905 2.152036
H 0.364444 0.516520 2.192000
H 8.588068 0.221041 -0.601499
H 7.861838 1.383938 1.488466
H 4.230515 -2.904717 -1.044255
H -1.344933 -0.470626 1.071546
H -2.945091 -3.830410 -0.442385
H -5.755404 0.231788 0.364345
H -3.351713 0.487590 -2.594808
H -5.370266 -4.094005 0.193007
H -6.762123 -2.043367 0.643855
H -2.737702 4.005391 0.916693
H -2.865199 2.848222 -3.271487
H -2.613928 4.635870 -1.516347
H -3.215889 2.241109 3.763908


