%chk=000245791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245791

0 1
O 2.402760 0.263096 1.329816
O -0.072876 2.331526 -0.759539
O 0.021462 -2.269424 -0.221637
N -0.371284 0.026827 -0.472866
C 1.848614 0.812104 -0.874189
C 1.876440 -0.743829 -0.710204
C 2.751108 1.277373 0.319030
C 2.798677 -0.918866 0.543748
C 0.390080 1.224187 -0.697645
C 0.434419 -1.158368 -0.427828
C 4.179367 0.838633 -0.027249
C 4.207793 -0.498680 0.108333
C -1.798996 0.040903 -0.222904
C -2.321310 -0.388358 1.017717
C -2.640313 0.504859 -1.246684
C -3.714362 -0.354787 1.192292
C -1.438336 -0.878777 2.113770
C -4.020252 0.534530 -1.041930
C -4.555365 0.101218 0.175572
H 2.232562 1.163814 -1.850785
H 2.266123 -1.278980 -1.596741
H 2.571730 2.268930 0.737315
H 2.662602 -1.812088 1.155035
H 4.947227 1.529988 -0.311225
H 5.005296 -1.199912 -0.034742
H -2.217374 0.849183 -2.189730
H -4.142756 -0.687601 2.137000
H -0.574226 -0.216875 2.276385
H -1.960975 -0.964856 3.074498
H -1.039920 -1.879857 1.868622
H -4.677545 0.895886 -1.830657
H -5.632969 0.121499 0.332723


%chk=000245791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245791

0 1
O 2.286583 0.245919 1.355117
O -0.078194 2.362634 -0.825751
O 0.005943 -2.316210 -0.346569
N -0.367519 0.025225 -0.496311
C 1.860305 0.807112 -0.905540
C 1.887641 -0.742087 -0.754994
C 2.715806 1.269560 0.348860
C 2.764360 -0.926338 0.553901
C 0.390596 1.205612 -0.754324
C 0.432494 -1.151448 -0.513908
C 4.162336 0.851173 0.063555
C 4.191710 -0.504775 0.188689
C -1.791275 0.035222 -0.237643
C -2.289348 -0.394380 1.023932
C -2.651799 0.504161 -1.255316
C -3.694774 -0.356414 1.210536
C -1.373604 -0.867831 2.134732
C -4.044353 0.539079 -1.039675
C -4.566675 0.099368 0.197872
H 2.266693 1.202832 -1.848586
H 2.299780 -1.299346 -1.609702
H 2.510899 2.281257 0.717337
H 2.605538 -1.860381 1.105046
H 4.962421 1.527614 -0.240688
H 5.021580 -1.190144 0.010023
H -2.225907 0.843501 -2.204725
H -4.105136 -0.683721 2.173007
H -0.467861 -0.240076 2.219805
H -1.897412 -0.853823 3.105251
H -1.034200 -1.902674 1.941887
H -4.711838 0.903463 -1.827394
H -5.647390 0.119212 0.376879


