%chk=000115952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000115952

0 1
O -4.016823 1.440807 1.553168
O -5.665627 1.028600 -0.835929
N 0.180978 -1.295774 0.367749
N 2.918496 -0.453754 -0.070564
C 0.565748 -0.512732 -0.852133
C 1.335467 -2.152324 0.798220
C 1.768862 0.391856 -0.521203
C 2.538055 -1.248830 1.138333
C -1.026965 -2.147548 0.102879
C 4.216297 0.130599 -0.093959
C -2.242474 -1.282288 -0.132654
C 4.508603 1.195435 -0.979340
C 5.268780 -0.422275 0.673795
C -2.564817 -0.264964 0.776905
C -3.058670 -1.510157 -1.251164
C -3.711353 0.507803 0.570538
C 5.811263 1.676351 -1.091189
C 6.564535 0.073753 0.546558
C -4.213741 -0.750907 -1.453207
C -4.548153 0.255035 -0.540182
C 6.847250 1.125218 -0.330632
C -4.088871 2.811318 1.071481
C -6.730720 0.916374 0.148732
H -0.299462 0.123777 -1.142923
H 0.808487 -1.159263 -1.723386
H 1.633800 -2.898767 0.029679
H 1.035768 -2.712841 1.709692
H 2.060256 0.958584 -1.434618
H 1.482163 1.135628 0.256038
H 2.284257 -0.587286 1.997249
H 3.396336 -1.886690 1.449553
H -1.211449 -2.769451 1.011978
H -0.879021 -2.860562 -0.738569
H 3.721324 1.634282 -1.588715
H 5.075995 -1.247033 1.356440
H -1.921386 -0.063193 1.636196
H -2.801365 -2.287719 -1.968052
H 6.022720 2.493994 -1.780137
H 7.366103 -0.364348 1.141051
H -4.860479 -0.925972 -2.311952
H 7.858669 1.507965 -0.421347
H -4.776549 2.891366 0.221633
H -3.083890 3.147256 0.802093
H -4.465593 3.345631 1.949852
H -7.449397 1.664813 -0.200538
H -6.355985 1.150783 1.151667
H -7.153420 -0.090948 0.108616


%chk=000115952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115952

0 1
O -3.835531 1.645237 1.342556
O -5.901844 0.899759 -0.593722
N 0.194154 -1.373850 0.142921
N 2.917823 -0.402902 -0.003590
C 0.651709 -0.563151 -1.008512
C 1.314623 -2.191588 0.660015
C 1.810243 0.365733 -0.605407
C 2.469974 -1.280082 1.103731
C -1.016498 -2.172405 -0.157485
C 4.223947 0.150724 0.017054
C -2.275216 -1.321796 -0.302486
C 4.487640 1.470826 -0.462147
C 5.337561 -0.616278 0.481809
C -2.489201 -0.207927 0.545249
C -3.267409 -1.655547 -1.256232
C -3.672857 0.550763 0.457395
C 5.802004 1.984753 -0.487302
C 6.642610 -0.087968 0.461457
C -4.469847 -0.917490 -1.331322
C -4.691403 0.175540 -0.468086
C 6.893793 1.216989 -0.025937
C -3.943328 2.963921 0.676418
C -6.762084 0.874706 0.612682
H -0.192337 0.050239 -1.371071
H 0.989557 -1.218858 -1.851462
H 1.693431 -2.910913 -0.110644
H 0.960388 -2.774205 1.531143
H 2.174531 0.871109 -1.516358
H 1.426663 1.143216 0.096039
H 2.122673 -0.662483 1.963866
H 3.306742 -1.904006 1.452846
H -1.153747 -2.879415 0.686137
H -0.890636 -2.798728 -1.077531
H 3.667974 2.113687 -0.795188
H 5.191657 -1.642922 0.832573
H -1.717765 0.083767 1.264865
H -3.107261 -2.501375 -1.935624
H 5.967326 3.002789 -0.859736
H 7.473369 -0.708322 0.818216
H -5.254217 -1.174353 -2.050629
H 7.910935 1.621794 -0.043063
H -4.782299 2.977965 -0.042637
H -2.997557 3.203057 0.153711
H -4.115962 3.688785 1.486618
H -7.627100 1.510197 0.368648
H -6.223227 1.271816 1.491694
H -7.099998 -0.159205 0.816228


