%chk=000216318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216318

0 1
O 0.825899 2.532126 -0.423924
N 3.249585 0.077443 -0.176406
N 0.451856 0.277987 -0.793552
C -0.934340 0.221982 -0.388908
C -1.300346 -0.699066 0.623313
C -1.890996 1.030471 -1.040523
C 2.733561 1.196186 -1.019470
C -2.658452 -0.809588 0.973689
C -3.240930 0.928096 -0.640614
C 3.490468 0.535307 1.235228
C 4.475741 -0.549873 -0.770267
C -3.607683 0.009591 0.347894
C 1.250548 1.421110 -0.687210
C -0.269669 -1.549761 1.296367
C -1.475035 1.974814 -2.119763
C -3.117782 -1.786111 2.011627
C -4.299163 1.787927 -1.258068
C 3.204013 -0.628706 2.183508
C 4.102433 -1.381865 -1.997431
H 3.271870 2.160430 -0.881540
H 2.829062 0.940127 -2.098691
H 4.519480 0.922156 1.392716
H 2.804117 1.379380 1.477627
H 5.255855 0.196223 -1.035265
H 4.922289 -1.217771 0.001513
H 0.929581 -0.631027 -0.836468
H -4.653482 -0.070224 0.639779
H 0.703631 -1.034303 1.414730
H -0.573346 -1.843905 2.309898
H -0.091373 -2.472834 0.728202
H -0.757292 1.512322 -2.810548
H -2.309503 2.343913 -2.723854
H -0.969092 2.854028 -1.673965
H -2.821791 -2.812017 1.752436
H -2.686488 -1.551791 2.995313
H -4.208658 -1.787535 2.132798
H -4.372612 1.616384 -2.341159
H -5.293782 1.603109 -0.833519
H -4.076793 2.854511 -1.104884
H 2.171035 -0.996034 2.041885
H 3.872536 -1.478552 2.009918
H 3.310531 -0.320607 3.228673
H 3.303605 -2.097352 -1.761688
H 3.743478 -0.759855 -2.825545
H 4.964437 -1.952445 -2.360056


%chk=000216318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216318

0 1
O 0.721016 2.855400 -0.292334
N 3.197880 0.116984 -0.139666
N 0.525476 0.497808 -0.269548
C -0.893046 0.322017 -0.134386
C -1.363073 -0.487048 0.943740
C -1.777746 0.914303 -1.082856
C 2.739543 1.474766 -0.540412
C -2.762043 -0.699718 1.081381
C -3.179048 0.723877 -0.907068
C 3.589284 0.091755 1.303716
C 4.239642 -0.448008 -1.047956
C -3.639995 -0.077713 0.162282
C 1.220017 1.692118 -0.339340
C -0.373125 -1.095878 1.923541
C -1.241343 1.702301 -2.261186
C -3.333494 -1.555864 2.201160
C -4.185608 1.350927 -1.858378
C 3.647245 -1.322762 1.907775
C 3.673356 -0.873708 -2.415086
H 3.262887 2.288473 0.005255
H 2.941711 1.633391 -1.615757
H 4.567866 0.609668 1.457527
H 2.831964 0.683109 1.852433
H 5.079852 0.274673 -1.190761
H 4.668672 -1.337349 -0.553916
H 1.173605 -0.309465 -0.214727
H -4.720640 -0.227052 0.281539
H 0.452151 -0.394317 2.139408
H -0.855523 -1.356544 2.879321
H 0.081739 -2.027387 1.527264
H -0.284331 1.277276 -2.614383
H -1.950337 1.704304 -3.105416
H -1.030791 2.748944 -1.972335
H -2.915203 -2.580131 2.194198
H -3.120032 -1.126411 3.199478
H -4.429492 -1.640931 2.106690
H -4.100899 0.935655 -2.881676
H -5.217643 1.170870 -1.511748
H -4.041885 2.444063 -1.942803
H 2.682326 -1.842619 1.773909
H 4.438653 -1.944420 1.452962
H 3.859882 -1.259155 2.990638
H 2.883304 -1.634113 -2.285313
H 3.238735 -0.023285 -2.971073
H 4.475496 -1.304402 -3.042296


