%chk=000181436.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181436

0 1
O 5.954022 -1.136780 -0.124741
N 4.666943 -1.633393 0.228053
C -0.106855 -0.371516 0.027567
C -1.089290 0.630284 0.006097
C 1.299457 -0.007141 0.035742
C -2.494448 0.265668 -0.004636
C 1.658870 1.363118 0.026411
C -2.856338 -1.102980 0.008966
C -0.687001 2.013778 -0.004201
C -0.510660 -1.754169 0.042948
C 0.628009 2.366356 0.006348
C -1.825310 -2.107736 0.034036
C 2.329840 -0.987142 0.048566
C 3.035621 1.732017 0.033406
C -3.532352 1.243300 -0.028722
C 3.661866 -0.602119 0.068142
C -4.233475 -1.471100 -0.001675
C 4.022700 0.775877 0.053465
C -4.857447 0.868891 -0.038760
C -5.213685 -0.504670 -0.025098
H -1.467513 2.776910 -0.020064
H 0.270112 -2.517624 0.064118
H 0.928528 3.413914 -0.000307
H -2.126291 -3.154647 0.046364
H 2.053328 -2.042012 0.058898
H 3.295686 2.790990 0.020371
H -3.259891 2.300181 -0.039164
H -4.495239 -2.528080 0.009143
H 5.078700 1.046123 0.045946
H -5.646244 1.619151 -0.057184
H -6.267358 -0.778682 -0.033318
H 4.536131 -2.412529 -0.433785
H 6.412986 -1.035636 0.770866


%chk=000181436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181436

0 1
O 6.025452 -1.211596 -0.331404
N 4.723011 -1.577612 0.258389
C -0.101851 -0.370280 0.042315
C -1.108463 0.653093 0.009468
C 1.315645 -0.002786 0.063505
C -2.524180 0.282536 -0.011894
C 1.675790 1.396006 0.053400
C -2.891027 -1.114144 0.001226
C -0.697876 2.035975 -0.000572
C -0.517181 -1.751384 0.055537
C 0.640701 2.391822 0.020668
C -1.853874 -2.111384 0.035887
C 2.367048 -0.967059 0.083713
C 3.057127 1.765561 0.066648
C -3.582113 1.247303 -0.045679
C 3.720064 -0.576748 0.116671
C -4.270800 -1.491493 -0.019242
C 4.070532 0.809067 0.103381
C -4.927051 0.857421 -0.065453
C -5.279665 -0.524334 -0.052173
H -1.452580 2.826174 -0.025159
H 0.236798 -2.542921 0.084232
H 0.931085 3.449137 0.012048
H -2.142663 -3.169034 0.047182
H 2.132591 -2.037044 0.081213
H 3.316317 2.830718 0.045559
H -3.350171 2.316108 -0.056734
H -4.524830 -2.558244 -0.008531
H 5.125031 1.095544 0.093280
H -5.714287 1.618996 -0.091315
H -6.334017 -0.821078 -0.067811
H 4.466071 -2.496153 -0.129785
H 6.632769 -1.193564 0.455228


