%chk=000294933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294933

0 1
O 0.353380 0.188787 0.915701
O 1.553104 -0.042706 2.821298
O 3.727938 -0.179653 -1.228630
O -1.928040 0.933794 -1.302501
O -1.357324 0.088679 -3.358775
N 1.804710 -1.239513 -0.604648
N 0.185703 1.248648 -2.029534
C 2.012240 -2.748910 1.405015
C 2.194546 -1.319051 0.812407
C 0.580842 -3.263961 1.245478
C 3.022304 -3.704737 0.769529
C 1.381505 -0.332802 1.662859
C 2.603488 -0.545846 -1.522538
C 1.968678 -0.320114 -2.879056
C 1.328428 1.075012 -2.955512
C -0.596082 1.103414 1.551118
C -0.104898 2.513994 1.406024
C 0.924146 2.989081 2.232204
C -0.680994 3.359929 0.447291
C -1.036790 0.673507 -2.342278
C 1.370996 4.305989 2.100205
C -0.232535 4.677468 0.321868
C -3.228546 0.270685 -1.394190
C -3.110665 -1.102243 -0.794153
C 0.792405 5.151467 1.147337
C -2.614284 -2.159304 -1.572190
C -3.479810 -1.328942 0.538777
C -2.490727 -3.435220 -1.018211
C -3.355414 -2.608662 1.088446
C -2.861366 -3.661476 0.312054
H 2.239572 -2.668459 2.502507
H 3.284301 -1.016811 0.906993
H 0.339099 -3.505276 0.203611
H -0.163824 -2.537303 1.592724
H 0.431051 -4.182345 1.825957
H 2.882181 -3.782055 -0.315985
H 4.055259 -3.376688 0.937496
H 2.927288 -4.714440 1.184871
H 0.828754 -1.455259 -0.805681
H 2.762366 -0.403132 -3.655255
H 1.225202 -1.100601 -3.143112
H 2.081401 1.862261 -2.711344
H 0.979061 1.257302 -4.001167
H -1.511059 0.889210 0.956207
H -0.735666 0.806834 2.606910
H 0.393667 1.481857 -1.049243
H 1.377101 2.322374 2.972165
H -1.476223 2.988059 -0.203902
H 2.171849 4.673373 2.740487
H -0.681231 5.334425 -0.421495
H -3.865811 0.962422 -0.813015
H -3.556971 0.250547 -2.452533
H 1.141139 6.178028 1.047637
H -2.322608 -1.975242 -2.610945
H -3.865718 -0.513734 1.148424
H -2.110772 -4.255972 -1.624953
H -3.645984 -2.784970 2.123098
H -2.768162 -4.657721 0.741446


%chk=000294933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294933

0 1
O 0.712837 0.346880 0.989527
O 1.923332 -0.008922 2.951990
O 3.961064 -0.180376 -1.470951
O -2.020466 0.622766 -1.155820
O -1.718962 0.229907 -3.469818
N 2.176678 -1.307677 -0.482282
N 0.096219 0.520632 -1.998578
C 2.912554 -2.480703 1.640971
C 2.664778 -1.132353 0.885651
C 1.627502 -3.336511 1.734994
C 4.064410 -3.261348 0.972913
C 1.758547 -0.216692 1.729588
C 2.833112 -0.752917 -1.574611
C 2.050442 -0.805131 -2.886468
C 1.146260 0.454793 -3.025852
C -0.265545 1.233675 1.749590
C 0.103766 2.689918 1.599934
C 1.005116 3.302020 2.509254
C -0.450924 3.459126 0.544381
C -1.233466 0.432036 -2.324244
C 1.349291 4.663335 2.361396
C -0.106590 4.821253 0.397956
C -3.492644 0.376165 -1.338676
C -3.847856 -1.067064 -1.053203
C 0.794352 5.425320 1.305958
C -3.772996 -2.041104 -2.083456
C -4.253552 -1.466065 0.245773
C -4.092161 -3.390368 -1.813765
C -4.573972 -2.815281 0.516533
C -4.493284 -3.780785 -0.514046
H 3.214999 -2.194818 2.666869
H 3.637633 -0.607219 0.786887
H 1.297448 -3.682242 0.736482
H 0.794745 -2.784014 2.208927
H 1.815854 -4.238059 2.344888
H 3.816052 -3.511267 -0.075073
H 5.000434 -2.673808 0.966014
H 4.255552 -4.206318 1.513336
H 1.242462 -1.697808 -0.618880
H 2.778945 -0.806911 -3.714752
H 1.425217 -1.713828 -2.961544
H 1.780864 1.358918 -2.968783
H 0.643977 0.442674 -4.007288
H -1.221205 0.991433 1.261375
H -0.248520 0.901859 2.800853
H 0.352686 0.629098 -1.007726
H 1.436353 2.704774 3.321117
H -1.150298 2.985622 -0.155893
H 2.046001 5.130401 3.066197
H -0.539121 5.410120 -0.418519
H -3.955428 1.065353 -0.614177
H -3.754665 0.667571 -2.370021
H 1.061405 6.482095 1.192781
H -3.455505 -1.732289 -3.086047
H -4.320994 -0.717575 1.045496
H -4.034744 -4.135017 -2.615588
H -4.890110 -3.112322 1.522783
H -4.745683 -4.826954 -0.307052


