%chk=000227941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227941

0 1
O 1.863390 2.584453 -0.904116
O 2.318964 2.030920 1.218776
O 1.639109 -1.788621 -1.349969
N 1.333429 -0.592011 0.565162
C -0.611981 0.961691 0.272383
C -1.625483 -0.073493 -0.230099
C -3.055927 0.310274 0.169118
C 0.822256 0.590189 -0.148815
C -4.072123 -0.724391 -0.334997
C 1.747827 1.765117 0.189418
C -5.499285 -0.350921 0.058459
C 1.726934 -1.744526 -0.136770
C 2.239171 -2.859222 0.726781
H -0.681250 1.060533 1.373789
H -0.863473 1.961725 -0.139435
H -1.374679 -1.074908 0.172018
H -1.552611 -0.170773 -1.332261
H 0.860812 0.395485 -1.265657
H -3.308738 1.309268 -0.236041
H -3.132412 0.404194 1.269417
H -3.822975 -1.725671 0.067927
H -4.000352 -0.816850 -1.436873
H 1.388256 -0.525956 1.577869
H -5.793343 0.618826 -0.359207
H -5.616494 -0.288261 1.146221
H -6.217182 -1.094639 -0.305938
H 2.527693 -3.718013 0.096630
H 3.131704 -2.569293 1.298726
H 1.485925 -3.222228 1.438325
H 2.456236 3.368001 -0.743740


%chk=000227941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227941

0 1
O 1.633538 2.893111 -0.625482
O 2.654391 1.809128 1.156783
O 1.089555 -1.956706 -1.309984
N 1.397820 -0.566618 0.529911
C -0.564980 1.007245 0.198628
C -1.568174 -0.091674 -0.209298
C -3.028466 0.303619 0.104932
C 0.912246 0.636364 -0.154025
C -4.045938 -0.790648 -0.292021
C 1.835209 1.794933 0.208976
C -5.506499 -0.392823 0.011079
C 1.498456 -1.790607 -0.120830
C 2.129580 -2.904504 0.712097
H -0.639178 1.201737 1.288098
H -0.809845 1.953036 -0.321857
H -1.318662 -1.034228 0.315825
H -1.460929 -0.305509 -1.290955
H 0.968820 0.441460 -1.241792
H -3.280225 1.245449 -0.426563
H -3.131185 0.521198 1.189198
H -3.797559 -1.729853 0.242939
H -3.937134 -1.012716 -1.372903
H 1.843745 -0.430490 1.441440
H -5.789229 0.525683 -0.537346
H -5.648515 -0.195233 1.090611
H -6.212630 -1.191510 -0.281670
H 2.152334 -3.825990 0.112836
H 3.162742 -2.644292 1.007593
H 1.548219 -3.090513 1.633704
H 2.225892 3.641848 -0.342822


