%chk=000218028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218028

0 1
O -0.377578 5.387999 -0.018478
N 1.619504 -0.682038 0.013070
N 4.302635 -1.825043 -0.102952
C 0.374351 -0.188567 0.715680
C 2.829627 0.110036 0.420631
C 1.876904 -2.130184 0.321961
C 4.052934 -0.371818 -0.384616
C 3.091258 -2.618755 -0.491422
C -0.852689 -0.950880 0.157002
C 0.200246 1.299901 0.471723
C 5.525899 -2.295775 -0.836854
C -2.135255 -0.594862 0.920799
C 0.221923 1.819383 -0.829439
C -0.009709 2.165749 1.560221
C 5.972782 -3.656089 -0.299525
C -3.306232 -1.367561 0.377052
C 0.035661 3.185393 -1.061787
C -0.200281 3.527996 1.357402
C -0.175885 4.024933 0.038097
C -4.039068 -0.865768 -0.710091
C -3.670007 -2.597549 0.946627
C -5.123938 -1.585373 -1.216807
C -4.756341 -3.313180 0.436051
C -5.485847 -2.809732 -0.645442
C -0.377919 6.017318 -1.321728
H 0.439245 -0.377364 1.821198
H 2.650898 1.183313 0.194113
H 3.043641 0.033769 1.508970
H 2.055583 -2.312212 1.404505
H 0.979887 -2.720724 0.029595
H 3.892003 -0.162753 -1.464705
H 4.946869 0.203346 -0.062116
H 3.283170 -3.686629 -0.253531
H 2.863975 -2.555406 -1.578017
H -0.974189 -0.726536 -0.921419
H -0.678175 -2.045562 0.207996
H 5.378210 -2.349388 -1.937189
H 6.335674 -1.552806 -0.658806
H -2.325948 0.497548 0.848977
H -2.005403 -0.794859 2.003067
H 0.398475 1.145450 -1.671478
H -0.024977 1.770352 2.575978
H 6.976664 -3.907899 -0.656162
H 5.297014 -4.462258 -0.603714
H 5.997630 -3.652176 0.799299
H 0.057477 3.569143 -2.075267
H -0.365734 4.212790 2.185221
H -3.760506 0.085553 -1.159212
H -3.106310 -2.996021 1.787018
H -5.689472 -1.190988 -2.059242
H -5.035079 -4.265914 0.882776
H -6.331288 -3.367564 -1.040648
H -1.191347 5.620448 -1.935654
H -0.557811 7.068968 -1.063028
H 0.595750 5.893645 -1.804100


%chk=000218028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218028

0 1
O -0.431468 5.481000 -0.081050
N 1.650560 -0.653400 0.068738
N 4.309383 -1.867320 -0.096852
C 0.390442 -0.183233 0.732058
C 2.848168 -0.018471 0.684674
C 1.835449 -2.127728 0.046449
C 4.124508 -0.395279 -0.079769
C 3.121062 -2.504954 -0.710492
C -0.853793 -0.964034 0.217424
C 0.217091 1.321065 0.501591
C 5.588867 -2.255048 -0.742453
C -2.193330 -0.454653 0.817396
C 0.336640 1.865189 -0.798935
C -0.111843 2.197274 1.566819
C 5.944903 -3.740559 -0.549085
C -3.366956 -1.319745 0.381039
C 0.131403 3.241440 -1.044240
C -0.322243 3.571841 1.344883
C -0.203633 4.098613 0.035031
C -4.067838 -1.038950 -0.820789
C -3.763119 -2.450498 1.141730
C -5.131042 -1.863782 -1.252681
C -4.825736 -3.279107 0.715213
C -5.513676 -2.989150 -0.485957
C -0.318272 6.074052 -1.414473
H 0.449765 -0.356269 1.841227
H 2.719556 1.077446 0.664625
H 2.962387 -0.333952 1.752679
H 1.891328 -2.550650 1.082146
H 0.985694 -2.599860 -0.473779
H 4.057772 0.024249 -1.117008
H 4.997835 0.065913 0.419197
H 3.237504 -3.602725 -0.678155
H 3.005716 -2.200122 -1.783637
H -0.891704 -0.894258 -0.887487
H -0.758865 -2.035255 0.475006
H 5.584903 -2.011019 -1.838147
H 6.382837 -1.634906 -0.282550
H -2.355672 0.594508 0.510668
H -2.111964 -0.457874 1.922968
H 0.621412 1.197273 -1.619672
H -0.201056 1.799966 2.585691
H 6.963440 -3.939923 -0.929788
H 5.253622 -4.411127 -1.090158
H 5.913010 -4.002382 0.523259
H 0.237590 3.629398 -2.062189
H -0.573783 4.252787 2.163776
H -3.780502 -0.163351 -1.416821
H -3.238528 -2.678523 2.078596
H -5.663043 -1.627683 -2.181636
H -5.119950 -4.145277 1.319339
H -6.339960 -3.628270 -0.817372
H -1.053492 5.634019 -2.116589
H -0.535707 7.143056 -1.273117
H 0.703227 5.953050 -1.825742


