%chk=000219448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219448

0 1
O -1.319985 0.131464 1.673661
O 1.857614 1.917688 -1.370607
N -1.624816 -4.507568 -0.938317
C 0.262778 -0.628674 -0.481452
C -0.795973 0.480079 -0.633978
C 1.438262 -0.418280 -1.454822
C -0.387815 -1.985495 -0.672648
C -1.592794 0.696197 0.633767
C 2.247671 0.806735 -1.068956
C -0.891103 -2.660219 0.450512
C -0.527332 -2.583735 -1.931875
C -2.754771 1.633095 0.538724
C 3.532303 0.604479 -0.337577
C -1.497393 -3.912186 0.277830
C -1.146575 -3.841495 -2.020255
C -2.754858 2.731439 -0.332454
C 3.769743 -0.526278 0.457113
C -3.861765 1.401215 1.370212
C 4.515340 1.602654 -0.440536
C -3.861278 3.583501 -0.379720
C 4.984728 -0.661261 1.133515
C -4.969734 2.250441 1.314626
C 5.732179 1.460789 0.230315
C -4.969844 3.341084 0.439167
C 5.967069 0.328638 1.017243
H 0.666777 -0.576041 0.569975
H -1.478061 0.258380 -1.480197
H -0.296234 1.440146 -0.918187
H 2.068794 -1.328106 -1.495540
H 1.059832 -0.276783 -2.489970
H -0.830567 -2.203188 1.441768
H -0.171457 -2.091265 -2.832156
H -1.900874 -4.470830 1.130638
H -1.270889 -4.343727 -2.986718
H -1.891763 2.934435 -0.967642
H 3.008045 -1.299980 0.560553
H -3.844808 0.556309 2.063268
H 4.314536 2.491729 -1.044636
H -3.859165 4.438722 -1.053921
H 5.166245 -1.537839 1.754020
H -5.829505 2.065112 1.956815
H 6.494080 2.234328 0.144541
H -5.832656 4.005422 0.396986
H 6.915120 0.218369 1.543717


%chk=000219448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219448

0 1
O -1.180374 0.121280 1.614219
O 2.083832 1.832195 -1.902580
N -1.641544 -4.594737 -0.960104
C 0.333133 -0.672980 -0.634082
C -0.698882 0.481671 -0.750373
C 1.471057 -0.500950 -1.698183
C -0.345023 -2.038851 -0.759749
C -1.500005 0.709663 0.537364
C 2.349968 0.706876 -1.375001
C -0.627400 -2.817314 0.390774
C -0.737275 -2.575204 -2.014155
C -2.658427 1.664681 0.504644
C 3.482606 0.568074 -0.398992
C -1.264663 -4.070435 0.244946
C -1.373295 -3.835286 -2.064947
C -2.988885 2.426470 -0.649277
C 3.800019 -0.661262 0.241559
C -3.443075 1.813454 1.681110
C 4.258411 1.722973 -0.101010
C -4.082345 3.318039 -0.624570
C 4.869036 -0.731246 1.160016
C -4.537319 2.699334 1.703143
C 5.326473 1.651537 0.812986
C -4.859941 3.454681 0.549132
C 5.634689 0.422743 1.447103
H 0.775469 -0.614483 0.377934
H -1.392444 0.288716 -1.591386
H -0.174630 1.427457 -1.001086
H 2.063810 -1.430936 -1.747695
H 1.029010 -0.324068 -2.694731
H -0.372993 -2.437627 1.385211
H -0.552033 -2.031628 -2.947625
H -1.489909 -4.687253 1.122467
H -1.683429 -4.266408 -3.024035
H -2.392790 2.336691 -1.563281
H 3.218650 -1.564978 0.030805
H -3.169437 1.221523 2.560828
H 3.997249 2.661160 -0.601841
H -4.328493 3.905521 -1.515667
H 5.105722 -1.681261 1.650959
H -5.138917 2.804976 2.612408
H 5.918877 2.545763 1.034956
H -5.710624 4.145207 0.565051
H 6.465240 0.365725 2.159561


