%chk=000271562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271562

0 1
O -1.961939 -0.580793 0.023006
O -2.814055 -2.714366 0.355460
N -0.680295 -1.140054 0.029153
N 0.879771 3.330485 1.042772
C 1.664998 -0.817586 0.050818
C 0.281785 -0.260327 0.060821
C 0.150832 1.214611 0.102234
C 2.627640 -0.259594 -0.806182
C 2.003450 -1.892869 0.885796
C -0.785504 1.883766 -0.700022
C 3.925622 -0.773838 -0.817471
C 3.306389 -2.399581 0.869286
C 0.966446 1.980587 0.964503
C 4.267032 -1.841429 0.020960
C -0.876209 3.275760 -0.628779
C -4.263942 -0.737095 0.129987
C -0.028275 3.964260 0.253531
C -2.992410 -1.546590 0.188657
C -5.185702 -1.286020 -0.950445
H 2.362175 0.569308 -1.461712
H 1.248560 -2.338472 1.536528
H -1.437481 1.316051 -1.368075
H 4.673510 -0.343137 -1.481814
H 3.569444 -3.234889 1.517223
H 1.712083 1.502133 1.613903
H 5.281025 -2.238671 0.009840
H -4.753631 -0.785010 1.128014
H -4.044809 0.338570 -0.048043
H -1.590891 3.817900 -1.243495
H -0.063206 5.056425 0.345425
H -5.395952 -2.355064 -0.797491
H -6.148037 -0.759004 -0.951844
H -4.750026 -1.180267 -1.952448


%chk=000271562-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271562

0 1
O -1.921723 -0.480911 -0.142315
O -2.851946 -2.661949 -0.143043
N -0.588563 -1.127816 -0.137648
N 0.701604 3.388455 1.110669
C 1.751240 -0.795323 0.026054
C 0.375090 -0.217705 -0.055786
C 0.187517 1.264238 -0.018010
C 2.883809 -0.029237 -0.363988
C 1.943773 -2.133961 0.472466
C -0.619028 1.955600 -0.959483
C 4.179010 -0.588113 -0.307598
C 3.237784 -2.686626 0.525889
C 0.822505 2.034736 0.996019
C 4.361553 -1.916797 0.137779
C -0.745682 3.356392 -0.859633
C -4.299715 -0.647772 -0.057508
C -0.072170 4.030446 0.185304
C -2.995853 -1.432900 -0.124076
C -5.524220 -1.520674 -0.389344
H 2.752989 0.996515 -0.724094
H 1.070352 -2.721414 0.770845
H -1.126440 1.403045 -1.754905
H 5.042542 0.012379 -0.613511
H 3.373984 -3.715830 0.875374
H 1.447532 1.547127 1.752488
H 5.367533 -2.348271 0.185205
H -4.382357 -0.232572 0.966645
H -4.223592 0.225079 -0.731367
H -1.352589 3.919190 -1.575485
H -0.142794 5.118641 0.294243
H -5.573472 -2.397818 0.277505
H -6.453214 -0.935771 -0.272082
H -5.477059 -1.895184 -1.426511


