%chk=000208467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208467

0 1
O -0.756977 1.746831 1.576513
O 2.153266 3.313603 1.462676
N 3.274198 -1.449500 -1.392413
N 2.208332 1.089372 0.930896
C -2.702940 1.785294 -0.348282
C -2.028454 0.493980 0.065137
C 2.846046 1.019375 -1.486308
C 2.283812 -0.385065 -1.767131
C -1.022314 0.489284 1.063474
C 3.324200 1.214065 -0.038719
C -4.193277 1.750608 0.013822
C -2.497838 2.050665 -1.845447
C -2.364605 -0.733596 -0.505801
C -0.389428 -0.682947 1.480490
C -0.734259 -1.899386 0.864897
C -1.721812 -1.919493 -0.125704
C 0.405823 1.949160 2.403178
C 1.648414 2.205756 1.534056
C 2.605443 -2.785467 -1.356277
C 4.422217 -1.480090 -2.347589
C -0.010286 -3.149206 1.244202
H -2.228768 2.633366 0.218661
H 3.692636 1.233906 -2.168125
H 2.066559 1.769992 -1.728854
H 1.966256 -0.444010 -2.830906
H 1.361954 -0.541184 -1.161779
H 4.085787 0.440138 0.220375
H 3.803117 2.215067 0.076023
H -4.332767 1.549801 1.082485
H -4.674805 2.708790 -0.208476
H -4.732784 0.974967 -0.538706
H -2.984746 1.294617 -2.469008
H -2.909551 3.025122 -2.130340
H -1.432260 2.055652 -2.100952
H -3.140971 -0.770836 -1.271920
H 0.341381 -0.671254 2.283792
H 1.724518 0.191520 0.912629
H -2.000300 -2.855017 -0.602691
H 0.128959 2.886754 2.935500
H 0.544248 1.135318 3.132393
H 2.104292 -3.080702 -2.289230
H 1.853775 -2.789014 -0.540184
H 3.351101 -3.557114 -1.107642
H 4.153444 -1.712323 -3.388164
H 5.154266 -2.228037 -2.003491
H 4.930124 -0.502319 -2.332148
H 0.936237 -3.225390 0.670644
H 0.253560 -3.175543 2.309802
H -0.592720 -4.056011 1.036242


%chk=000208467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208467

0 1
O -0.356266 1.229100 0.858686
O 2.936654 1.421566 2.511836
N 2.621245 0.319780 -2.707619
N 2.289578 0.559006 0.432494
C -2.604460 0.586204 -0.688110
C -2.173890 -0.299850 0.482920
C 4.377117 0.841152 -0.947906
C 3.510789 1.355767 -2.119565
C -1.017169 0.031336 1.248954
C 3.589769 -0.021340 0.072526
C -4.121722 0.535276 -0.979988
C -1.793901 0.216696 -1.963772
C -2.853072 -1.485677 0.841664
C -0.568025 -0.781004 2.312579
C -1.267436 -1.967148 2.655910
C -2.416308 -2.308530 1.906504
C 0.641200 1.798432 1.774875
C 2.062716 1.223714 1.609078
C 1.657964 0.914668 -3.661754
C 3.367411 -0.795684 -3.331366
C -0.779458 -2.837529 3.801967
H -2.338117 1.627209 -0.422473
H 5.231415 0.242420 -1.319456
H 4.807113 1.721255 -0.433471
H 4.180702 1.812406 -2.893816
H 2.857111 2.166712 -1.745292
H 3.405953 -1.026319 -0.347564
H 4.175801 -0.129668 1.001697
H -4.717515 0.752627 -0.074965
H -4.382669 1.283094 -1.751480
H -4.431836 -0.453759 -1.366911
H -2.022124 -0.818923 -2.279048
H -2.050366 0.896648 -2.798426
H -0.707382 0.288143 -1.780685
H -3.752383 -1.772794 0.286155
H 0.334011 -0.518374 2.876118
H 1.527964 0.465327 -0.247300
H -2.973996 -3.218968 2.154716
H 0.670906 2.874319 1.528420
H 0.337562 1.689593 2.831401
H 2.152748 1.370443 -4.556155
H 1.069673 1.702133 -3.157840
H 0.956447 0.138436 -4.016005
H 4.009173 -0.464474 -4.186715
H 2.653986 -1.549552 -3.708939
H 4.018561 -1.288413 -2.589623
H 0.263168 -3.169996 3.640737
H -0.799398 -2.288150 4.762215
H -1.407143 -3.737811 3.916392


