%chk=000180171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180171

0 1
O -0.838205 1.553257 -1.604901
O -1.853792 3.527803 -1.047513
O -1.571153 -3.948792 0.273678
O 3.784374 -0.143416 0.617772
N -2.751625 1.471942 -0.376364
C -3.987744 2.028471 0.282384
C -2.483533 0.055448 -0.238813
C -4.833495 2.766209 -0.756949
C -3.597133 2.943901 1.444304
C -1.829698 2.312816 -0.988279
C -2.875940 -0.828749 -1.252588
C -1.824023 -0.411721 0.917491
C 0.350066 2.281415 -2.035577
C 1.358165 2.202472 -0.919460
C -2.606491 -2.195134 -1.126926
C -1.553097 -1.765744 1.053877
C -1.939351 -2.644653 0.018222
C 2.061449 1.007843 -0.711909
C 1.572124 3.307081 -0.084940
C 2.966730 0.953267 0.351014
C 2.500658 3.227857 0.960642
C 3.207523 2.049357 1.195909
C 3.336839 -1.440112 0.353612
C -1.919683 -4.955708 -0.707118
C 2.004189 -1.847224 0.470222
C 4.378885 -2.332904 0.056806
C 1.712877 -3.201353 0.279123
C 4.058657 -3.678468 -0.122824
C 2.731137 -4.113506 -0.015937
H -4.559177 1.144212 0.674003
H -5.100649 2.120264 -1.599988
H -4.292266 3.632964 -1.170722
H -5.761038 3.144925 -0.315518
H -3.003527 3.803514 1.091611
H -4.482557 3.347474 1.946149
H -2.994900 2.421224 2.194296
H -3.378474 -0.450844 -2.143675
H -1.521680 0.292253 1.693936
H 0.078562 3.318922 -2.312963
H 0.650062 1.713802 -2.936730
H -2.905615 -2.877118 -1.916176
H -1.047597 -2.161715 1.933114
H 1.899118 0.146599 -1.357622
H 1.007123 4.226272 -0.241735
H 2.667099 4.093817 1.601989
H 3.930009 1.962887 2.004231
H -1.420656 -4.747961 -1.658170
H -1.520878 -5.867656 -0.243246
H -3.005825 -5.017940 -0.819330
H 1.213930 -1.137658 0.709467
H 5.400580 -1.969348 -0.020219
H 0.677503 -3.546475 0.365215
H 4.848405 -4.393990 -0.350476
H 2.493235 -5.164475 -0.159398


%chk=000180171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180171

0 1
O -0.771594 1.596573 -1.485601
O -1.881048 3.599235 -0.932023
O -1.774041 -4.027994 0.426856
O 4.095918 -0.114872 0.502311
N -2.813577 1.490012 -0.435210
C -4.120810 2.059450 0.054506
C -2.564901 0.075327 -0.247559
C -4.858703 2.843742 -1.052710
C -3.922940 2.895730 1.339904
C -1.836268 2.337414 -0.928822
C -3.294721 -0.885017 -0.979801
C -1.613294 -0.359331 0.711099
C 0.443519 2.386166 -1.865177
C 1.487244 2.281865 -0.773403
C -3.076731 -2.267780 -0.779418
C -1.381801 -1.728982 0.914927
C -2.106473 -2.688460 0.162742
C 2.284642 1.115080 -0.678157
C 1.654776 3.327553 0.168848
C 3.220354 0.991365 0.371703
C 2.616565 3.202175 1.197902
C 3.400688 2.033845 1.308714
C 3.680844 -1.436553 0.188665
C -2.501704 -5.063033 -0.312547
C 2.343639 -1.883144 0.303974
C 4.718393 -2.328913 -0.161895
C 2.048822 -3.242803 0.053586
C 4.410022 -3.684801 -0.404944
C 3.076302 -4.147425 -0.301702
H -4.721640 1.166424 0.309588
H -5.013483 2.214461 -1.947869
H -4.285027 3.738332 -1.344545
H -5.848119 3.166319 -0.680520
H -3.311218 3.787838 1.127051
H -4.904134 3.223992 1.729196
H -3.423779 2.297940 2.123987
H -4.022613 -0.551790 -1.727732
H -1.050115 0.385544 1.283139
H 0.137399 3.430407 -2.047136
H 0.774694 1.910771 -2.802486
H -3.647736 -2.991715 -1.368106
H -0.657191 -2.081397 1.655884
H 2.166457 0.310427 -1.411511
H 1.029986 4.224511 0.096442
H 2.753219 4.013195 1.921337
H 4.146959 1.913260 2.099677
H -2.327227 -4.976343 -1.402661
H -2.096213 -6.017391 0.053877
H -3.588366 -5.015441 -0.105040
H 1.544307 -1.191081 0.583396
H 5.742343 -1.949888 -0.232836
H 1.012942 -3.590503 0.141877
H 5.213391 -4.378730 -0.676236
H 2.841542 -5.199964 -0.492541


