%chk=000210903.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210903

0 1
O 7.234269 -0.793072 -1.636889
O -4.915049 0.541597 -2.125920
N -0.512904 0.223874 -0.797496
N -3.307049 -0.516502 -0.902516
N 4.686389 -1.571656 -0.603341
N 2.767040 -0.141411 -0.674798
N 1.702972 0.529264 1.393118
N 3.801871 -0.751861 1.457342
N 2.713540 -0.087661 3.445147
C -1.400302 0.447065 0.390026
C -1.282379 0.378171 -2.075944
C -2.537898 -0.594731 0.366394
C -2.433761 -0.649147 -2.101420
C 0.667517 1.143826 -0.770707
C -4.499834 0.219593 -1.023721
C 1.762906 0.457859 0.027613
C 4.890271 -1.362804 -2.065525
C 5.947605 -1.963537 0.088080
C 3.757452 -0.780763 0.071735
C 6.032992 -0.365970 -2.313280
C 7.063352 -0.950245 -0.212916
C -5.268670 0.476090 0.239439
C 2.742041 -0.104626 2.069761
C -5.336600 1.779384 0.746535
C -5.952297 -0.570619 0.870440
C -6.084511 2.031938 1.900416
C -6.700781 -0.310035 2.021910
C -6.764787 0.988867 2.537735
H -0.786251 0.304889 1.310849
H -1.818615 1.474262 0.436949
H -1.685973 1.402617 -2.224178
H -0.592117 0.167751 -2.922649
H -2.108902 -1.622721 0.438282
H -3.203290 -0.457115 1.244116
H -3.045070 -0.515347 -3.024734
H -2.025330 -1.685155 -2.111184
H 0.455376 2.142581 -0.324735
H 1.040036 1.324617 -1.808174
H 3.946436 -1.018849 -2.550875
H 5.135801 -2.357149 -2.504408
H 6.225372 -2.974213 -0.290443
H 5.782905 -2.062693 1.186073
H 6.353675 -0.349738 -3.370394
H 5.772747 0.654125 -1.980945
H 6.860380 0.036162 0.239421
H 8.057291 -1.314707 0.102867
H -4.819571 2.592460 0.237597
H -5.904418 -1.579743 0.460499
H -6.142157 3.043755 2.298651
H -7.237781 -1.119249 2.514477
H -7.349593 1.189259 3.434488
H 2.000938 0.433220 3.929775
H 3.474419 -0.481807 3.973757


%chk=000210903-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210903

0 1
O 7.175993 -2.022006 -1.811386
O -5.003047 0.881081 -2.013729
N -0.366854 0.759710 -0.836396
N -3.159746 0.051787 -0.850400
N 4.713402 -1.373186 -0.496123
N 2.857585 0.076324 -0.655566
N 1.917169 1.015696 1.374562
N 3.849883 -0.478656 1.506917
N 2.901547 0.466158 3.428447
C -1.184472 0.910460 0.389804
C -1.189182 1.002441 -2.047072
C -2.355601 -0.094607 0.384378
C -2.355932 -0.002955 -2.092599
C 0.893419 1.547334 -0.806608
C -4.492908 0.453094 -0.924499
C 1.954483 0.840871 0.018179
C 4.735036 -1.557446 -1.961642
C 5.763596 -2.107270 0.236842
C 3.788240 -0.576519 0.135367
C 6.141348 -1.225196 -2.497490
C 7.141598 -1.759512 -0.361256
C -5.356804 0.329911 0.308837
C 2.896109 0.323686 2.064850
C -6.303480 1.355467 0.560926
C -5.349810 -0.823595 1.135916
C -7.200798 1.249639 1.644543
C -6.261253 -0.938264 2.208939
C -7.181165 0.102637 2.473549
H -0.544001 0.730161 1.270040
H -1.597160 1.949545 0.476291
H -1.602012 2.042666 -2.073334
H -0.558287 0.860272 -2.943307
H -1.944199 -1.122520 0.435339
H -2.990988 0.079491 1.265664
H -3.028620 0.219040 -2.936464
H -1.942912 -1.025053 -2.198805
H 0.738924 2.573605 -0.397514
H 1.274754 1.629007 -1.837868
H 3.965794 -0.904586 -2.403002
H 4.492393 -2.613760 -2.195331
H 5.582226 -3.196312 0.133881
H 5.702361 -1.831193 1.301128
H 6.229744 -1.487686 -3.564331
H 6.350644 -0.141951 -2.362072
H 7.377181 -0.690651 -0.166746
H 7.931254 -2.396087 0.070417
H -6.334677 2.217275 -0.113740
H -4.656896 -1.645240 0.921077
H -7.921233 2.052477 1.836494
H -6.258446 -1.840128 2.831253
H -7.884796 0.015284 3.309080
H 2.207277 1.070080 3.860804
H 3.603025 -0.020717 3.980058


