%chk=000200697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200697

0 1
O 3.475269 -0.043953 -0.881114
O -2.742785 -1.499959 1.297564
O 3.418442 1.713938 0.540147
N 6.995141 -0.658577 0.144480
N -2.851660 0.163757 -0.277100
N -4.947840 0.866083 -1.222792
C 5.512451 -0.612260 0.334540
C 7.648377 0.561368 0.729563
C 7.592642 -1.921439 0.690328
C 4.936010 0.024545 -0.936882
C -1.403743 0.329376 -0.229805
C 9.025989 0.765287 0.097991
C 7.228225 -3.105844 -0.205721
C -4.922771 -0.915957 0.472674
C -3.637119 0.972863 -1.152717
C -3.461844 -0.836768 0.583584
C -5.626034 -0.070605 -0.417361
C 1.352783 0.659387 -0.156959
C -0.856428 1.345174 0.570149
C -0.590736 -0.526770 -0.987543
C 0.528294 1.505215 0.604259
C 0.794023 -0.358781 -0.944240
C 2.819135 0.871901 -0.091660
C -5.635598 -1.845132 1.263080
C -2.925216 1.961454 -2.011863
C -7.036550 -0.158249 -0.511991
C -7.014903 -1.923296 1.163248
C -7.712512 -1.076829 0.273386
H 5.189146 -0.036133 1.229411
H 5.089572 -1.632904 0.459039
H 7.009508 1.445318 0.503327
H 7.736077 0.513100 1.836414
H 8.700010 -1.799312 0.699224
H 7.287244 -2.124104 1.739437
H 5.148961 -0.564801 -1.846678
H 5.244586 1.074699 -1.069216
H 9.736180 -0.013155 0.398604
H 8.962844 0.733083 -0.998349
H 9.448011 1.734481 0.382822
H 6.158144 -3.338962 -0.166791
H 7.470602 -2.890651 -1.255362
H 7.778395 -4.005081 0.089167
H -1.501861 1.985328 1.171369
H -1.032435 -1.325279 -1.583953
H 0.982388 2.285600 1.224083
H 1.450419 -1.018889 -1.520679
H -5.078102 -2.492079 1.946707
H -2.182624 1.479606 -2.667364
H -2.398977 2.722946 -1.414748
H -3.633505 2.501031 -2.668314
H -7.561967 0.501564 -1.203535
H -7.570880 -2.636667 1.769291
H -8.799480 -1.153566 0.209347


%chk=000200697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200697

0 1
O 3.478144 -0.239223 -0.973665
O -2.767603 -1.444831 1.357905
O 3.418017 1.680235 0.355845
N 7.032111 -0.747309 0.230612
N -2.922050 0.210620 -0.307712
N -5.028680 0.924409 -1.235057
C 5.559162 -0.901883 0.237471
C 7.482090 0.492459 0.924443
C 7.771258 -1.967057 0.648309
C 4.970917 -0.170356 -0.984613
C -1.470759 0.334485 -0.291369
C 8.816065 1.037052 0.380270
C 7.755316 -3.074900 -0.422039
C -4.973251 -0.814420 0.540432
C -3.707378 0.997292 -1.187543
C -3.502460 -0.750292 0.599984
C -5.686351 0.026535 -0.372407
C 1.336059 0.575743 -0.276350
C -0.864638 1.391594 0.423561
C -0.683733 -0.612839 -0.983379
C 0.537834 1.513191 0.427705
C 0.719369 -0.492877 -0.976725
C 2.819057 0.751009 -0.243180
C -5.677617 -1.709449 1.387699
C -2.992798 1.948346 -2.117352
C -7.106178 -0.046255 -0.418376
C -7.079538 -1.770436 1.332017
C -7.792651 -0.935006 0.425332
H 5.094954 -0.500850 1.167272
H 5.293904 -1.971863 0.175874
H 6.698951 1.260467 0.783091
H 7.561274 0.328579 2.028502
H 8.820603 -1.673225 0.832233
H 7.381399 -2.370645 1.616849
H 5.267169 -0.665692 -1.921022
H 5.278744 0.889317 -0.994917
H 9.644130 0.318347 0.518704
H 8.728393 1.249996 -0.699365
H 9.092619 1.970398 0.905264
H 6.728685 -3.419033 -0.645103
H 8.201570 -2.702744 -1.360655
H 8.332764 -3.953121 -0.077539
H -1.488889 2.098541 0.979691
H -1.171503 -1.439886 -1.508659
H 1.035149 2.321783 0.972685
H 1.344784 -1.216351 -1.505795
H -5.099014 -2.337423 2.073056
H -2.234587 1.428447 -2.729857
H -2.467260 2.746820 -1.563711
H -3.745877 2.405108 -2.774782
H -7.632002 0.604260 -1.123566
H -7.626061 -2.459276 1.984628
H -8.886316 -0.986690 0.385801


