%chk=000191014.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191014

0 1
O -2.923563 3.149152 0.029045
O -0.787571 2.846981 0.015293
O -5.324000 -2.518576 0.003596
O -6.031104 -0.473143 0.021287
N 0.231140 0.453963 -0.003496
N 8.903859 -0.894616 0.063970
N -1.946631 2.423009 0.019388
N -5.143586 -1.310441 0.011286
C 3.916114 -0.596954 -0.039663
C 2.700693 0.338987 -0.010163
C 5.228027 0.199505 -0.018657
C 1.397063 -0.470762 -0.017272
C 6.442408 -0.735325 -0.052425
C 7.757825 0.059934 -0.004859
C -1.061508 0.038730 0.000433
C -2.150242 0.985365 0.011789
C -1.394419 -1.364224 -0.007050
C -3.482822 0.526430 0.015617
C -2.696044 -1.786023 -0.003270
C -3.758777 -0.834704 0.007944
H 3.882232 -1.238230 -0.942472
H 3.886907 -1.288339 0.826084
H 2.735191 1.026108 -0.880760
H 2.748220 0.987526 0.889137
H 5.262502 0.896303 -0.878812
H 5.268430 0.835744 0.887721
H 1.353823 -1.141539 0.873352
H 1.349033 -1.119531 -0.923716
H 6.413864 -1.370462 -0.958133
H 6.414029 -1.439437 0.805243
H 0.446047 1.473454 0.003272
H 7.816080 0.756334 -0.868899
H 7.786786 0.687611 0.914572
H -0.592081 -2.100510 -0.015266
H -4.309474 1.261699 0.024611
H 8.947195 -1.466632 -0.773529
H 9.781931 -0.388184 0.124003
H -2.952877 -2.854503 -0.008700


%chk=000191014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191014

0 1
O -2.982462 3.209875 0.042244
O -0.732204 2.865240 0.036909
O -5.422520 -2.565150 -0.020902
O -6.139801 -0.394455 0.005304
N 0.222811 0.420041 0.003809
N 8.989596 -0.849766 -0.022681
N -1.967573 2.416927 0.032398
N -5.205372 -1.287839 -0.006344
C 3.937849 -0.599797 -0.017807
C 2.693626 0.315109 -0.007734
C 5.263592 0.194313 -0.018082
C 1.380192 -0.490185 -0.008386
C 6.509472 -0.718432 -0.021550
C 7.834816 0.070930 -0.023366
C -1.082979 0.025843 0.002704
C -2.186873 0.970947 0.015368
C -1.434555 -1.371810 -0.011876
C -3.528851 0.538080 0.012396
C -2.758846 -1.796873 -0.014737
C -3.806651 -0.834050 -0.002791
H 3.907147 -1.258324 -0.910718
H 3.914506 -1.268973 0.866973
H 2.716606 0.980548 -0.894037
H 2.722812 0.968643 0.887191
H 5.289747 0.863605 -0.903297
H 5.294725 0.854677 0.873431
H 1.348702 -1.154605 0.879989
H 1.340664 -1.140339 -0.906957
H 6.477836 -1.379210 -0.914430
H 6.504550 -1.383141 0.863755
H 0.368146 1.444058 0.014066
H 7.823335 0.786046 -0.884149
H 7.888060 0.684167 0.897213
H -0.634283 -2.115274 -0.020961
H -4.337582 1.273314 0.022129
H 9.033438 -1.458003 -0.847100
H 9.891293 -0.402586 0.168567
H -3.018268 -2.858848 -0.026042


