%chk=000181830.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181830

0 1
O 2.276828 -0.217217 -1.182109
O 4.397104 1.180643 1.010468
O 3.551159 -2.402486 1.469112
O -0.529662 2.546261 0.214490
O -3.732696 -0.817865 0.044241
N 0.089143 0.478867 -0.597432
N -2.188552 0.921633 0.182250
C 3.105529 0.562082 0.955786
C 2.155103 1.607419 0.361234
C 3.148967 -0.591683 -0.080078
C 1.500440 0.949384 -0.855715
C 2.639764 -1.930625 0.472895
C -0.280398 -0.806760 -0.961074
C -0.908883 1.423414 -0.026158
C -1.559538 -1.257033 -0.753146
C -2.491789 -0.342627 -0.160387
C -4.734429 0.100194 0.649638
C -5.971846 -0.764996 0.714173
H 2.813796 0.218989 1.969113
H 1.424942 1.992915 1.102021
H 2.735156 2.507927 0.055315
H 4.153735 -0.678643 -0.548507
H 1.502250 1.564513 -1.786357
H 2.514618 -2.678431 -0.329261
H 1.685444 -1.826490 1.026042
H 4.941250 0.780055 1.719006
H 0.489415 -1.446652 -1.423599
H 4.361166 -2.763180 1.051533
H -1.881667 -2.256687 -1.025704
H -4.350118 0.410819 1.636312
H -4.831293 0.975617 -0.015478
H -6.815732 -0.212594 1.146820
H -6.274260 -1.114438 -0.283169
H -5.807447 -1.662723 1.326624


%chk=000181830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181830

0 1
O 2.124066 -0.344441 -1.156245
O 4.002811 0.726275 1.832916
O 4.788495 -2.024058 0.891505
O -0.723103 2.576267 -0.467064
O -3.961403 -0.750901 0.305860
N -0.074891 0.328092 -0.422245
N -2.391548 0.952634 -0.083498
C 2.873865 0.238982 1.054470
C 2.026409 1.407986 0.524581
C 3.302229 -0.464866 -0.256107
C 1.315867 0.809275 -0.714998
C 3.669565 -1.941345 -0.077439
C -0.390393 -1.004808 -0.283578
C -1.087087 1.373980 -0.327273
C -1.691367 -1.400819 -0.027781
C -2.667502 -0.348184 0.061625
C -5.004490 0.320775 0.387461
C -6.327187 -0.389423 0.652606
H 2.251442 -0.460257 1.655871
H 1.312498 1.813046 1.255154
H 2.702565 2.223104 0.213070
H 4.154741 0.096048 -0.695709
H 1.223366 1.537329 -1.536561
H 3.931120 -2.421113 -1.039601
H 2.839003 -2.498517 0.387223
H 4.539120 -0.075115 2.079410
H 0.434885 -1.706008 -0.420693
H 5.645698 -1.888201 0.415383
H -1.971254 -2.447843 0.080573
H -4.720141 1.019511 1.193890
H -4.998944 0.881816 -0.563683
H -7.140265 0.356035 0.721421
H -6.569175 -1.092864 -0.162394
H -6.291496 -0.952789 1.600748


