%chk=000225248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225248

0 1
O 3.597803 2.048357 1.506216
O 5.139000 -1.344502 -1.225745
N 0.759118 0.884177 1.052897
N 0.450116 -0.944238 -0.290035
N 2.866666 -1.278806 -0.869704
N 4.369734 0.356631 0.143958
C -1.637899 0.086660 0.800490
C -0.166346 -0.006653 0.511488
C 2.027278 0.501397 0.582763
C 1.801765 -0.635832 -0.241931
C -2.277214 1.240795 0.045406
C -2.379097 -1.205754 0.501911
C 3.328379 1.076263 0.825750
C 0.511090 2.036537 1.921210
C 4.197753 -0.792667 -0.687652
C -3.328417 1.945814 0.651117
C -3.034084 -1.870275 1.549582
C -1.847208 1.600919 -1.239097
C -2.438475 -1.726902 -0.798172
C 2.624773 -2.467281 -1.722858
C 5.774181 0.827021 0.300621
C -3.936977 3.007931 -0.022649
C -3.745766 -3.045971 1.294335
C -2.458177 2.665997 -1.906992
C -3.150529 -2.903275 -1.046792
C -3.501438 3.372425 -1.300771
C -3.806876 -3.563418 -0.003092
H -1.736469 0.293450 1.907027
H -0.241554 2.713140 1.474188
H 0.159987 1.714802 2.917934
H 1.450534 2.618858 2.070520
H -3.683734 1.660610 1.639622
H -2.990710 -1.480352 2.563940
H -1.039831 1.049975 -1.723721
H -1.913056 -1.223655 -1.610547
H 3.587592 -2.925814 -2.019150
H 2.071357 -2.178072 -2.633488
H 2.023303 -3.214188 -1.173122
H 5.802360 1.718269 0.955630
H 6.202872 1.090535 -0.681731
H 6.397371 0.033548 0.748232
H -4.755178 3.550780 0.448711
H -4.251864 -3.559844 2.109576
H -2.120204 2.943409 -2.904912
H -3.190954 -3.307025 -2.057124
H -3.976072 4.200821 -1.823532
H -4.361205 -4.478796 -0.199807


%chk=000225248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225248

0 1
O 3.656816 1.869830 1.824649
O 5.128430 -1.282390 -1.360729
N 0.772722 0.845648 1.154720
N 0.437781 -0.796801 -0.397855
N 2.816039 -1.140374 -0.982947
N 4.363482 0.274898 0.216808
C -1.645687 0.174267 0.738328
C -0.158505 0.048135 0.494521
C 2.038297 0.483483 0.663667
C 1.789959 -0.523513 -0.282514
C -2.270528 1.313007 -0.095692
C -2.372909 -1.168410 0.550617
C 3.357364 0.961441 0.984562
C 0.507199 1.886925 2.164631
C 4.156383 -0.752643 -0.750177
C -3.419468 1.978734 0.401677
C -2.768207 -1.911641 1.689399
C -1.752702 1.690532 -1.359310
C -2.653682 -1.684618 -0.737861
C 2.519954 -2.203920 -1.961943
C 5.777517 0.656566 0.438057
C -4.041639 3.000531 -0.347657
C -3.434922 -3.150225 1.548434
C -2.373993 2.714158 -2.110628
C -3.319469 -2.920469 -0.881602
C -3.519743 3.372208 -1.609099
C -3.713282 -3.658271 0.259777
H -1.771397 0.452479 1.804414
H -0.196304 2.636087 1.763600
H 0.082818 1.440272 3.081300
H 1.464550 2.370443 2.412791
H -3.833699 1.686997 1.375091
H -2.554169 -1.522481 2.693374
H -0.865555 1.182722 -1.754666
H -2.350351 -1.121250 -1.625724
H 3.479940 -2.592216 -2.331669
H 1.928773 -1.797543 -2.800214
H 1.938241 -3.006046 -1.478684
H 5.786954 1.449206 1.200207
H 6.223424 1.017761 -0.502981
H 6.355514 -0.217334 0.780253
H -4.928985 3.506139 0.049437
H -3.736432 -3.713230 2.438904
H -1.963344 2.997215 -3.086418
H -3.531673 -3.310099 -1.883639
H -3.999580 4.166178 -2.191964
H -4.232233 -4.616586 0.145252


