%chk=000271659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271659

0 1
O -4.325060 -0.023316 -0.559281
O 1.121833 3.106733 -0.418009
O -2.564983 1.169005 -1.433732
O 1.747961 1.974794 1.482166
N -2.392303 -1.109967 -0.948014
N -0.129477 1.355690 0.237924
C -0.083574 -1.197936 0.139840
C -0.467231 -2.393348 1.054670
C -0.931891 -1.190568 -1.165779
C -0.383709 0.096509 0.963370
C 1.398171 -1.314795 -0.211053
C -0.305908 -3.769507 0.396293
C 1.818449 -1.949844 -1.391567
C 2.376183 -0.836414 0.675374
C -0.757576 -4.889934 1.329988
C 3.178132 -2.087245 -1.684402
C 3.735192 -0.974103 0.382676
C 4.142739 -1.599882 -0.798798
C -3.027097 0.125013 -1.008557
C 0.995754 2.108159 0.532782
C -5.185301 1.162617 -0.638159
C 2.162422 4.106924 -0.175946
C -4.823435 2.140337 0.458036
C 1.714570 5.073037 0.900613
H -1.507710 -2.273850 1.411800
H 0.163469 -2.359533 1.967622
H -0.607355 -0.343602 -1.819092
H -0.741357 -2.126062 -1.746998
H 0.220950 0.087748 1.905449
H -1.452584 0.099359 1.278783
H -0.880954 -3.817598 -0.548594
H 0.756034 -3.926532 0.113618
H -2.839972 -1.883857 -0.460679
H -0.691564 1.556406 -0.601651
H 1.090792 -2.350143 -2.096724
H 2.087566 -0.322343 1.598447
H -0.629252 -5.871442 0.858441
H -1.813899 -4.794549 1.604157
H -0.177017 -4.899913 2.260257
H 3.484635 -2.576587 -2.607319
H 4.476737 -0.584658 1.079680
H 5.200818 -1.704807 -1.027354
H -5.087812 1.597826 -1.648759
H -6.176812 0.692494 -0.500937
H 3.099460 3.582787 0.084275
H 2.229260 4.567409 -1.179031
H -4.807190 1.660425 1.444350
H -3.823303 2.572228 0.289455
H -5.534202 2.974174 0.503074
H 0.713546 5.471889 0.691924
H 1.666173 4.574554 1.881386
H 2.402983 5.920116 0.993784


%chk=000271659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271659

0 1
O -4.413269 -0.033808 -0.800364
O 1.112201 3.257328 -0.418892
O -2.491060 1.239776 -1.297681
O 1.932479 1.969229 1.383316
N -2.389248 -1.066666 -0.864752
N 0.022003 1.347158 0.154701
C -0.042669 -1.211650 0.137898
C -0.460911 -2.363853 1.115764
C -0.950807 -1.221958 -1.133339
C -0.267367 0.133094 0.916746
C 1.443448 -1.376330 -0.262080
C -0.396856 -3.798001 0.541731
C 1.862984 -1.666305 -1.587420
C 2.451632 -1.270275 0.734693
C -0.665038 -4.865860 1.624815
C 3.229020 -1.852484 -1.903156
C 3.814506 -1.456485 0.426569
C 4.213494 -1.753668 -0.897052
C -3.037339 0.135207 -1.009137
C 1.088899 2.154852 0.462144
C -5.235014 1.211300 -0.858153
C 2.193920 4.246051 -0.168142
C -5.245178 1.926898 0.495285
C 1.781856 5.257261 0.907057
H -1.489173 -2.161746 1.483996
H 0.196602 -2.316386 2.006733
H -0.650393 -0.397709 -1.803476
H -0.814543 -2.168737 -1.684202
H 0.365838 0.151388 1.819525
H -1.322366 0.157943 1.253829
H -1.136037 -3.921810 -0.276573
H 0.599244 -3.969531 0.090564
H -2.958422 -1.880707 -0.630568
H -0.662117 1.648946 -0.552338
H 1.135785 -1.747004 -2.400982
H 2.181556 -1.012089 1.764108
H -0.637870 -5.886220 1.200759
H -1.656093 -4.720783 2.095698
H 0.096608 -4.812280 2.424919
H 3.519832 -2.071993 -2.937007
H 4.565290 -1.354610 1.218024
H 5.272584 -1.895666 -1.139639
H -4.829994 1.861542 -1.652992
H -6.234898 0.844429 -1.140345
H 3.108465 3.702470 0.128706
H 2.340396 4.725787 -1.149866
H -5.595333 1.252897 1.296247
H -4.237578 2.296690 0.750012
H -5.928064 2.795828 0.452295
H 0.833932 5.754155 0.635845
H 1.657784 4.754380 1.880968
H 2.562579 6.033902 1.015009


