%chk=000210861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210861

0 1
O 2.294335 0.697261 0.125293
O -1.009755 2.556838 0.544549
O -0.810575 -1.479830 0.376950
N 0.567481 1.686369 -2.451621
N -2.171173 0.795020 -0.337416
C -1.709030 0.977529 -1.748303
C -1.768517 2.444672 -2.227551
C -0.233259 0.522083 -1.952153
C -0.438620 2.674688 -2.970652
C 1.422039 2.276024 -1.371212
C -2.863002 -0.452731 -0.104109
C -1.655059 1.542822 0.749667
C 2.629223 1.365657 -1.137998
C -2.005974 1.035733 2.136367
C -2.166804 -1.648105 0.239891
C -4.253648 -0.499314 -0.243013
C -1.637019 2.057971 3.202965
C -2.857424 -2.849587 0.429232
C -4.944420 -1.702111 -0.050749
C -4.248656 -2.865645 0.279809
C 3.142724 -0.263840 0.604902
C -0.001360 -2.648001 0.663353
C 4.266608 -0.766635 -0.065772
C 2.765549 -0.743923 1.879466
C 5.019001 -1.768434 0.556551
C 3.535599 -1.737807 2.472060
C 4.660845 -2.257814 1.814188
H -2.381931 0.352198 -2.389536
H -2.640749 2.624861 -2.871450
H -1.858107 3.147265 -1.373764
H 0.196131 0.079927 -1.025337
H -0.179214 -0.264147 -2.732167
H -0.087108 3.717435 -2.871415
H -0.548956 2.470100 -4.057004
H 0.868155 2.425071 -0.403908
H 1.767587 3.281404 -1.690150
H 2.757650 0.603941 -1.926428
H 3.562798 1.928465 -0.981554
H -3.084013 0.783454 2.204128
H -1.457375 0.082260 2.308744
H -4.797221 0.410384 -0.505403
H -1.800583 1.662197 4.210062
H -0.581180 2.355435 3.118217
H -2.225526 2.978530 3.097288
H -2.331767 -3.763935 0.687012
H -6.026463 -1.724786 -0.162388
H -4.790404 -3.800759 0.425169
H -0.272221 -3.071473 1.633380
H -0.085972 -3.378476 -0.145051
H 1.009157 -2.207427 0.693206
H 4.557295 -0.395936 -1.042043
H 1.897399 -0.313641 2.372684
H 5.896715 -2.168599 0.048626
H 3.266082 -2.113895 3.458829
H 5.254913 -3.033645 2.288063


%chk=000210861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210861

0 1
O 2.791438 0.448369 -0.062704
O -0.949592 2.259038 0.808804
O -1.549331 -1.777825 0.911105
N 0.752672 1.410807 -2.123543
N -2.276527 0.639365 -0.207313
C -1.557786 0.745056 -1.516872
C -1.561210 2.161254 -2.163692
C -0.031599 0.323984 -1.468700
C -0.226680 2.157569 -2.961881
C 1.578646 2.229571 -1.201086
C -3.247223 -0.425798 -0.092163
C -1.881482 1.397893 0.897969
C 2.959287 1.615236 -0.956528
C -2.626319 1.145571 2.216052
C -2.871509 -1.688624 0.459527
C -4.558794 -0.254938 -0.582950
C -2.382161 2.266409 3.243017
C -3.811128 -2.746295 0.518985
C -5.501548 -1.307728 -0.527992
C -5.121122 -2.549548 0.025252
C 3.932178 -0.285340 0.281986
C -1.090103 -3.065160 1.442411
C 5.243398 0.000215 -0.179009
C 3.710142 -1.380291 1.157435
C 6.319262 -0.816903 0.240894
C 4.791996 -2.183622 1.565926
C 6.105934 -1.908847 1.110221
H -2.093910 0.046139 -2.183378
H -2.448267 2.323424 -2.802250
H -1.530098 2.932147 -1.377962
H 0.315152 0.163149 -0.437639
H 0.098652 -0.625158 -2.023287
H 0.145372 3.169864 -3.195309
H -0.365055 1.619558 -3.923214
H 1.072830 2.409716 -0.228397
H 1.751551 3.214036 -1.678331
H 3.401964 1.286702 -1.917592
H 3.628790 2.350220 -0.460579
H -3.707617 1.016847 2.021746
H -2.268789 0.176440 2.619031
H -4.828933 0.719113 -1.005919
H -2.857033 2.014164 4.208571
H -1.301704 2.416423 3.403283
H -2.796591 3.227150 2.890360
H -3.532665 -3.717409 0.939265
H -6.516469 -1.158075 -0.909699
H -5.841647 -3.373497 0.074249
H -1.656791 -3.351236 2.349468
H -1.172343 -3.864625 0.681464
H -0.032872 -2.904171 1.698749
H 5.432635 0.840037 -0.853731
H 2.688694 -1.571071 1.502951
H 7.330515 -0.592982 -0.118199
H 4.612475 -3.026126 2.243856
H 6.945517 -2.535098 1.429847


