%chk=000220617.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220617

0 1
O -3.856864 -3.267377 -0.072709
N 4.507854 1.249349 -1.526623
N -0.648774 0.425776 0.080991
N -2.791966 2.178544 0.229157
C 4.371631 0.510374 -0.240656
C 3.090470 -0.363473 -0.169410
C 5.614837 -0.378409 -0.015359
C 1.819533 0.486549 -0.081025
C 6.888360 0.460368 0.152619
C 0.574275 -0.408445 0.012094
C 8.122337 -0.426361 0.366903
C -1.920430 -0.104253 0.077630
C 9.389918 0.407902 0.538729
C -3.052896 0.819652 0.151981
C -2.166914 -1.479832 0.003795
C -4.379159 0.297971 0.143035
C -3.501584 -1.939801 -0.001711
C -4.603011 -1.093234 0.064746
C -5.457608 1.246770 0.217035
C -5.185346 2.585841 0.292454
C -3.816851 3.020228 0.296301
C -2.809696 -4.263593 -0.144978
H 4.326209 1.286130 0.569869
H 3.043939 -1.037242 -1.045086
H 3.152915 -1.029731 0.713427
H 5.739019 -1.085160 -0.857553
H 5.461528 -1.004450 0.884667
H 1.740588 1.154053 -0.962784
H 1.875767 1.156732 0.801545
H 6.771985 1.160434 1.001674
H 7.031198 1.104986 -0.739297
H 0.515795 -1.083142 -0.874272
H 0.631646 -1.061275 0.914866
H 7.976496 -1.070417 1.255773
H 8.244277 -1.116175 -0.490920
H 3.660159 1.763920 -1.744499
H 4.684793 0.618448 -2.301446
H -0.531476 1.437671 0.151759
H 9.580882 1.035395 -0.339748
H 9.319954 1.074712 1.405690
H 10.268472 -0.230017 0.684270
H -1.350526 -2.185353 -0.047213
H -5.608421 -1.498426 0.056984
H -6.480149 0.871281 0.211361
H -5.976588 3.329714 0.349671
H -3.585032 4.088481 0.356755
H -2.218241 -4.127131 -1.054542
H -2.190972 -4.229878 0.756074
H -3.389932 -5.194704 -0.189026


%chk=000220617-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220617

0 1
O -4.006616 -3.355615 0.071111
N 4.446767 1.524566 -1.136148
N -0.687471 0.314618 0.011035
N -2.704048 2.108788 0.034813
C 4.372399 0.518309 -0.050751
C 3.097159 -0.380394 -0.089941
C 5.656246 -0.349046 -0.071675
C 1.779423 0.419652 -0.028753
C 6.939682 0.443034 0.255998
C 0.533678 -0.487099 -0.004711
C 8.230525 -0.389408 0.087541
C -1.966666 -0.193799 0.031462
C 9.506560 0.409139 0.432524
C -3.053824 0.772735 0.043545
C -2.270647 -1.573067 0.040273
C -4.421831 0.307581 0.063249
C -3.634414 -1.999653 0.060470
C -4.701880 -1.088500 0.071560
C -5.438350 1.323279 0.073445
C -5.077576 2.673042 0.064551
C -3.691388 3.027312 0.045199
C -2.948865 -4.366352 0.060534
H 4.355354 1.086198 0.903691
H 3.120495 -0.993924 -1.016000
H 3.135427 -1.089774 0.763159
H 5.754030 -0.813087 -1.077660
H 5.537868 -1.185705 0.646937
H 1.711634 1.094150 -0.906476
H 1.778371 1.062161 0.876219
H 6.881052 0.817546 1.299931
H 6.974930 1.336428 -0.396464
H 0.546262 -1.154332 -0.895544
H 0.573361 -1.149252 0.888879
H 8.175705 -1.294396 0.727739
H 8.294132 -0.753473 -0.958793
H 3.755548 2.278131 -1.073717
H 4.481219 1.111184 -2.075360
H -0.643159 1.340298 0.011075
H 9.597626 1.303342 -0.212533
H 9.484400 0.756209 1.483017
H 10.418692 -0.201220 0.297241
H -1.459547 -2.305021 0.031934
H -5.729253 -1.463067 0.086799
H -6.492857 1.024266 0.088338
H -5.836386 3.462110 0.072189
H -3.384201 4.079426 0.038311
H -2.327493 -4.295040 -0.853578
H -2.302380 -4.287617 0.956448
H -3.477288 -5.331259 0.071882


