%chk=000218359.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218359

0 1
O -1.106671 -1.657003 -4.530623
O -2.466523 0.093643 -4.233449
O 5.357783 2.287482 0.067127
O -1.535388 -1.722011 0.298024
N 0.130289 -0.129736 -2.280639
N 2.902297 0.294412 -1.529075
N 4.688376 0.193102 0.691971
C 1.215429 -1.084340 -2.699225
C 0.489144 0.472601 -0.955028
C 2.537698 -0.310245 -2.852944
C 1.820240 1.238246 -1.092881
C -1.197638 -0.829416 -2.296469
C 4.215811 1.001716 -1.611449
C -2.271133 -0.209375 -1.389193
C -1.679778 -0.679370 -3.746489
C 4.787413 1.241333 -0.209653
C -2.250671 -0.782495 0.012834
C 5.195068 0.314856 2.089241
C -3.139686 -0.146559 1.029494
C 6.056941 -0.910472 2.412089
C 4.016530 0.443366 3.061947
C -4.108807 0.813989 0.703691
C -2.987746 -0.550572 2.367424
C -4.910070 1.367083 1.705481
C -3.788149 0.005743 3.367375
C -4.749656 0.965712 3.036634
H 1.348274 -1.920637 -1.977119
H 0.935412 -1.533303 -3.680550
H -0.301015 1.196068 -0.659728
H 0.567628 -0.292586 -0.149157
H 2.439422 0.446570 -3.662222
H 3.341254 -1.016826 -3.152118
H 2.102793 1.660762 -0.103624
H 1.689280 2.094934 -1.790960
H -1.108902 -1.928454 -2.051579
H 4.944618 0.377779 -2.177253
H 4.174972 1.982939 -2.138250
H -3.281192 -0.373046 -1.832581
H -2.162889 0.899208 -1.371545
H 4.123706 -0.625262 0.466772
H 5.827196 1.246485 2.144939
H -1.374419 -1.590521 -5.485962
H 6.495507 -0.825290 3.412698
H 6.884527 -1.013090 1.699031
H 5.483552 -1.843226 2.385063
H 3.352597 -0.426914 3.029175
H 3.410742 1.328883 2.834047
H 4.370239 0.546768 4.093732
H -4.251540 1.136333 -0.328023
H -2.237148 -1.308530 2.613512
H -5.662216 2.112409 1.449173
H -3.664236 -0.310288 4.402509
H -5.376163 1.401146 3.815504


%chk=000218359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218359

0 1
O -1.547742 -0.115105 -4.923415
O -1.630835 1.823729 -3.645262
O 6.245922 1.220674 -0.408027
O -1.511170 -2.121309 -0.345367
N 0.245802 -0.252109 -2.309046
N 3.019329 -0.124593 -1.591163
N 4.327561 0.452122 0.706204
C 1.018064 -1.495094 -2.104885
C 0.750611 0.892375 -1.529436
C 2.501838 -1.242256 -2.425202
C 2.240496 1.119323 -1.838736
C -1.212662 -0.358390 -2.530318
C 4.480147 0.095223 -1.704928
C -2.137183 0.011954 -1.341807
C -1.500866 0.577161 -3.709452
C 5.104389 0.662490 -0.408524
C -2.125033 -1.019892 -0.211798
C 4.711904 0.865684 2.068107
C -2.879683 -0.712770 1.050062
C 4.605782 -0.330431 3.040545
C 3.859487 2.068298 2.539505
C -3.604967 0.496731 1.231550
C -2.868253 -1.677492 2.095171
C -4.302922 0.734618 2.434657
C -3.563771 -1.438450 3.295851
C -4.283173 -0.230356 3.468783
H 0.924572 -1.871058 -1.061617
H 0.624916 -2.276049 -2.779111
H 0.186344 1.801200 -1.806624
H 0.638460 0.728815 -0.428655
H 2.606374 -1.019128 -3.514587
H 3.086055 -2.153046 -2.196910
H 2.637147 1.920215 -1.187757
H 2.344626 1.449392 -2.900399
H -1.425175 -1.393278 -2.843510
H 4.977110 -0.873174 -1.905145
H 4.762665 0.780209 -2.534672
H -3.180879 0.105343 -1.708751
H -1.874454 1.014536 -0.957671
H 3.422017 -0.002942 0.512063
H 5.767732 1.185767 1.990484
H -1.643232 0.537003 -5.670966
H 4.924872 -0.031448 4.055398
H 5.245160 -1.165850 2.705806
H 3.562754 -0.695979 3.108009
H 2.788209 1.795377 2.598425
H 3.966614 2.916957 1.841458
H 4.181416 2.402135 3.543102
H -3.631647 1.252290 0.439564
H -2.306579 -2.603769 1.934538
H -4.860471 1.667929 2.567682
H -3.549576 -2.186414 4.095892
H -4.824997 -0.043165 4.402584


