%chk=000245189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245189

0 1
O 5.583850 1.240818 0.949355
O -2.746607 0.879800 0.448671
O 5.153579 -2.426884 0.409254
O 2.316977 0.792936 -1.952572
O 3.700757 -1.613657 1.953505
O -1.303459 -0.769669 -1.571728
O 0.230732 -1.330852 -0.154217
N 2.941364 0.429613 0.222287
N -0.509506 -0.523833 -0.682176
C 4.110357 -0.395501 -0.150003
C 5.427989 0.446601 -0.222852
C 0.823466 1.545573 -0.224859
C 2.061370 0.873706 -0.765787
C -0.417535 0.883982 -0.209346
C -1.554308 1.550473 0.279928
C 5.472453 1.298559 -1.480853
C -1.462996 2.885787 0.752353
C 4.255977 -1.506567 0.888825
C 0.913722 2.861930 0.224382
C -0.221765 3.524347 0.710808
C -2.670068 3.575561 1.284284
C -3.615934 0.825609 -0.745785
C -4.585950 -0.271575 -0.421468
C -4.261087 -1.600480 -0.733279
C -5.811258 0.025041 0.193373
C 5.444419 -3.563743 1.270254
C -5.165165 -2.624805 -0.441301
C -6.712270 -1.003881 0.481163
C -6.391075 -2.327764 0.163428
H 3.942047 -0.862433 -1.168715
H 6.307942 -0.242950 -0.156386
H 2.652980 0.374403 1.207006
H 4.517034 1.797579 -1.696730
H 6.243557 2.075534 -1.396200
H 5.708733 0.699096 -2.369640
H 1.872112 3.384201 0.196793
H -0.131080 4.554463 1.063020
H -3.484484 2.861540 1.501678
H -2.460125 4.108868 2.222717
H -3.061460 4.312322 0.567728
H -4.081919 1.820355 -0.841301
H -2.997211 0.602623 -1.637503
H 4.916681 1.956732 0.987055
H -3.298402 -1.831838 -1.198895
H -6.060171 1.052305 0.451714
H 6.002668 -3.215040 2.144571
H 4.511446 -4.052402 1.571179
H 6.051826 -4.202481 0.620138
H -4.911552 -3.656156 -0.683000
H -7.664114 -0.774363 0.956758
H -7.094237 -3.127682 0.389568


%chk=000245189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245189

0 1
O 6.038581 1.343843 0.209485
O -2.834632 0.514946 0.467495
O 5.968141 -2.044154 0.743304
O 2.023638 -0.138941 -1.698459
O 4.563853 -0.972994 2.263276
O -1.479567 -0.986883 -1.576469
O 0.054923 -1.846295 -0.124922
N 3.194410 0.269142 0.280898
N -0.627396 -0.873753 -0.617592
C 4.383210 -0.480306 -0.150243
C 5.488756 0.420161 -0.799133
C 0.867340 0.993904 0.121498
C 2.056730 0.313129 -0.514836
C -0.440260 0.468492 -0.011531
C -1.581467 1.145044 0.490262
C 4.995684 1.165967 -2.045157
C -1.420048 2.396410 1.155809
C 4.952861 -1.176022 1.088808
C 1.012204 2.241409 0.769745
C -0.113305 2.922883 1.281444
C -2.621996 3.109485 1.739232
C -3.756072 0.906879 -0.670025
C -4.951455 -0.009322 -0.622416
C -4.823498 -1.362714 -1.030258
C -6.208920 0.464779 -0.174269
C 6.651027 -2.727809 1.872749
C -5.939006 -2.225844 -0.985101
C -7.328188 -0.397554 -0.134459
C -7.193798 -1.745389 -0.539081
H 4.078295 -1.234505 -0.900779
H 6.340408 -0.236218 -1.043578
H 3.101749 0.387838 1.298147
H 4.160346 1.846795 -1.797656
H 5.822783 1.763504 -2.465451
H 4.627077 0.464622 -2.813139
H 2.007422 2.689223 0.854205
H 0.024002 3.882856 1.791718
H -3.373373 2.380838 2.087557
H -2.327671 3.753493 2.584867
H -3.110951 3.757217 0.985865
H -4.049348 1.965236 -0.532844
H -3.179792 0.789256 -1.604540
H 5.342027 2.017815 0.421851
H -3.849401 -1.729167 -1.373191
H -6.312117 1.509472 0.145334
H 7.109118 -1.979271 2.539708
H 5.925762 -3.334109 2.439959
H 7.413072 -3.358817 1.396046
H -5.833256 -3.270028 -1.299504
H -8.297936 -0.022201 0.210930
H -8.059669 -2.416540 -0.508360


