%chk=000217825.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217825

0 1
O -4.107785 -0.908076 1.099147
O -3.209503 -1.801268 -0.742266
N 2.948801 0.616195 0.136889
C 3.801013 -0.497429 -0.375978
C -2.776023 0.580497 -0.169019
C -1.270371 0.540689 -0.071255
C 1.540850 0.521965 0.093153
C -0.608707 1.373412 0.843796
C -0.514314 -0.303550 -0.900322
C 0.779528 1.368435 0.935987
C 0.874124 -0.322397 -0.823747
C 3.738035 -1.729099 0.537863
C 5.236412 0.024633 -0.505163
C -3.246496 1.173551 -1.498979
C -3.332745 -0.827793 -0.038679
H 3.419081 -0.775689 -1.396303
H -3.193804 1.199643 0.672526
H 3.329138 1.073446 0.965902
H -1.183378 2.032794 1.495006
H -1.026690 -0.964780 -1.605737
H 1.274803 2.022320 1.647716
H 1.441388 -0.979613 -1.478268
H 4.338037 -2.552279 0.135271
H 4.112326 -1.518233 1.544951
H 2.709310 -2.096497 0.644310
H 5.273474 0.936446 -1.116281
H 5.879412 -0.720397 -0.987248
H 5.685852 0.262124 0.464958
H -2.791775 2.159519 -1.662737
H -2.958764 0.542124 -2.351123
H -4.334840 1.298154 -1.527463
H -4.494390 -1.811046 1.242590


%chk=000217825-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217825

0 1
O -3.920690 -0.776581 1.391373
O -3.566925 -1.682326 -0.714875
N 2.922386 0.459606 0.316900
C 3.844073 -0.472160 -0.357088
C -2.855503 0.654991 -0.249413
C -1.330251 0.566955 -0.084715
C 1.532087 0.461684 0.183579
C -0.649587 1.416993 0.822862
C -0.556435 -0.345447 -0.844904
C 0.749885 1.373046 0.956439
C 0.844793 -0.408199 -0.717132
C 3.833474 -1.882011 0.291332
C 5.261726 0.136382 -0.353110
C -3.271122 1.111685 -1.670696
C -3.469279 -0.706653 0.063743
H 3.515385 -0.567373 -1.412371
H -3.243404 1.366266 0.500402
H 3.325845 1.071026 1.027690
H -1.222526 2.125134 1.434396
H -1.057907 -1.032807 -1.537004
H 1.250988 2.049354 1.661228
H 1.400894 -1.134810 -1.317448
H 4.451441 -2.588250 -0.293966
H 4.238830 -1.835118 1.319103
H 2.807013 -2.284334 0.348461
H 5.275861 1.113164 -0.868488
H 5.973147 -0.537199 -0.861580
H 5.623460 0.281324 0.683983
H -2.798802 2.081692 -1.902602
H -2.948038 0.374441 -2.425001
H -4.367906 1.223292 -1.750977
H -4.260912 -1.695965 1.569375


