%chk=000287124.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287124

0 1
O 0.525212 0.087827 0.268349
N -0.690367 -0.437970 0.675803
C 1.606972 -0.805427 0.748865
C 1.998409 -1.760539 -0.357165
C 2.717446 0.165620 1.081033
C 2.854584 -2.831181 -0.058262
C 3.345091 0.106014 2.333023
C 1.524796 -1.588529 -1.663664
C 3.117076 1.126218 0.140908
C -1.734718 0.211119 0.237495
C -3.053764 -0.320415 0.686295
C -1.752699 1.408773 -0.640298
C 3.230524 -3.723615 -1.065146
C 4.374701 1.001192 2.637192
C 1.901760 -2.486075 -2.666814
C 4.142671 2.022398 0.452926
C 2.754478 -3.553496 -2.369891
C 4.773839 1.959343 1.699562
C -3.974044 0.546965 1.296171
C -0.796819 2.423020 -0.473312
C -3.375888 -1.672730 0.500855
C -2.725300 1.525986 -1.646777
C -5.213661 0.058349 1.714170
C -0.821189 3.548367 -1.301382
C -4.620323 -2.152437 0.920053
C -2.739937 2.650156 -2.475134
C -5.538987 -1.289659 1.525281
C -1.790713 3.663576 -2.302199
H 1.245162 -1.364340 1.644946
H 3.230836 -2.965467 0.954077
H 3.034212 -0.631997 3.070337
H 0.856314 -0.755354 -1.888504
H 2.620930 1.168246 -0.829427
H 3.895736 -4.553379 -0.833085
H 4.864902 0.953059 3.608084
H 1.529706 -2.351512 -3.680951
H 4.451970 2.768296 -0.277234
H 3.047964 -4.250923 -3.151629
H 5.575026 2.655606 1.940197
H -3.718946 1.596289 1.442128
H -0.030160 2.326079 0.299555
H -2.653370 -2.346181 0.039076
H -3.467776 0.738906 -1.780498
H -5.927809 0.728813 2.189532
H -0.080600 4.335008 -1.166496
H -4.871205 -3.202262 0.776723
H -3.492990 2.737770 -3.256494
H -6.506578 -1.666310 1.851812
H -1.806776 4.540104 -2.947385


%chk=000287124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287124

0 1
O 0.583922 0.267444 0.349941
N -0.673603 -0.391327 0.709107
C 1.699926 -0.672469 0.695313
C 1.902806 -1.709149 -0.404484
C 2.904815 0.222634 0.978628
C 2.532731 -2.939395 -0.092592
C 3.003148 0.850085 2.247379
C 1.497634 -1.460196 -1.738135
C 3.905708 0.471921 0.008866
C -1.748723 0.268673 0.292628
C -3.034812 -0.413843 0.646014
C -1.773704 1.554543 -0.469869
C 2.762182 -3.904161 -1.098239
C 4.080812 1.711728 2.543176
C 1.722282 -2.426622 -2.744888
C 4.985623 1.335383 0.302176
C 2.357701 -3.649935 -2.430005
C 5.076908 1.957196 1.568263
C -4.205347 0.343358 0.926030
C -0.881440 2.624759 -0.182588
C -3.097334 -1.831856 0.742282
C -2.716683 1.718978 -1.524097
C -5.406220 -0.301597 1.294130
C -0.944300 3.826375 -0.919579
C -4.298509 -2.472734 1.108241
C -2.763805 2.914420 -2.271927
C -5.459266 -1.711459 1.386046
C -1.880438 3.976526 -1.969040
H 1.393039 -1.183005 1.628817
H 2.846841 -3.142382 0.939051
H 2.227591 0.662873 3.000473
H 0.995446 -0.515871 -1.973562
H 3.844415 -0.014789 -0.970280
H 3.249084 -4.852477 -0.843930
H 4.147438 2.187620 3.527975
H 1.399555 -2.225537 -3.772800
H 5.755562 1.520634 -0.455282
H 2.530391 -4.399309 -3.210795
H 5.917248 2.622899 1.795764
H -4.170198 1.436447 0.868675
H -0.142495 2.511454 0.613915
H -2.196961 -2.414005 0.523637
H -3.405744 0.901571 -1.762522
H -6.297868 0.296551 1.513124
H -0.254797 4.643280 -0.679386
H -4.333053 -3.566206 1.171200
H -3.488841 3.017279 -3.087006
H -6.392985 -2.211315 1.667315
H -1.919987 4.908311 -2.544462


