%chk=000181512.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181512

0 1
O 0.812688 0.012629 -2.255383
O 0.319176 -0.776018 2.429894
O 2.186549 3.071326 0.881343
N 1.484122 1.542118 -0.719456
N 1.219365 1.130893 1.635155
C 0.125135 -0.472567 0.018547
C 0.479488 -1.965809 -0.219618
C -1.390866 -0.290070 -0.070588
C 0.822203 0.334991 -1.088388
C 0.543919 -0.104088 1.448795
C 1.982029 -2.255787 -0.117787
C 1.666819 2.011033 0.611112
C -2.202189 -0.867858 0.921487
C -1.992456 0.413842 -1.122233
C 2.267097 -3.737738 -0.346810
C 2.086182 2.376177 -1.799535
C -3.589777 -0.729646 0.867358
C -3.384122 0.549805 -1.171687
C -4.185980 -0.017672 -0.178935
H 0.102113 -2.259840 -1.223089
H -0.074533 -2.589748 0.512840
H 2.365602 -1.956484 0.878411
H 2.541822 -1.654526 -0.862563
H 1.417084 1.424620 2.607082
H -1.750173 -1.425460 1.748333
H -1.399460 0.852014 -1.926649
H 1.765219 -4.368482 0.396723
H 1.933466 -4.067226 -1.338283
H 3.341420 -3.947261 -0.278994
H 3.154513 2.131307 -1.925051
H 1.997473 3.448889 -1.548692
H 1.569513 2.186094 -2.758341
H -4.208427 -1.178803 1.643997
H -3.840992 1.100364 -1.993780
H -5.268622 0.091080 -0.219614


%chk=000181512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181512

0 1
O 1.097176 -0.045110 -2.215961
O 0.618914 -0.941477 2.453385
O 1.838762 3.271977 0.975861
N 1.376946 1.650602 -0.659152
N 1.148900 1.159576 1.662040
C 0.262121 -0.517016 0.043887
C 0.532810 -2.031071 -0.232746
C -1.283285 -0.255839 -0.050292
C 0.964520 0.346435 -1.026375
C 0.701760 -0.155990 1.473479
C 2.018278 -2.449849 -0.160445
C 1.461523 2.111543 0.674179
C -2.121435 -0.600829 1.042286
C -1.877141 0.236181 -1.240629
C 2.189420 -3.958681 -0.440909
C 1.851412 2.574475 -1.718432
C -3.520838 -0.438872 0.949713
C -3.278274 0.397465 -1.327490
C -4.106896 0.065097 -0.233303
H 0.128803 -2.258893 -1.235437
H -0.050940 -2.608006 0.507396
H 2.423182 -2.216769 0.843422
H 2.605337 -1.873628 -0.901367
H 1.319408 1.461397 2.626999
H -1.685502 -1.001668 1.963379
H -1.259505 0.475780 -2.111647
H 1.636698 -4.565514 0.300485
H 1.807334 -4.219883 -1.445481
H 3.252791 -4.256084 -0.395587
H 2.949325 2.523979 -1.816582
H 1.564146 3.600271 -1.445798
H 1.393338 2.269657 -2.669798
H -4.151594 -0.708990 1.803909
H -3.719351 0.779269 -2.254953
H -5.192739 0.192564 -0.302435


