%chk=000289856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289856

0 1
O -0.071031 -0.821363 0.008584
O 6.717709 -1.142710 0.015464
O 7.326268 1.027618 -0.026090
N 0.844410 1.294204 -0.031938
C -5.229077 -0.346310 -0.001177
C -6.611631 0.319377 -0.014012
C -4.104132 0.697766 -0.020909
C -7.735685 -0.725389 0.005584
C -2.727302 0.024861 -0.007865
C -9.118825 -0.061125 -0.007186
C -10.243997 -1.105475 0.012384
C -1.596279 1.062887 -0.027730
C -11.623275 -0.450226 -0.000323
C -0.245192 0.376844 -0.014432
C 2.229711 0.960433 -0.025385
C 3.151930 2.034380 -0.045934
C 2.689480 -0.369646 0.000227
C 4.978265 0.438339 -0.015060
C 4.515791 1.766469 -0.040640
C 4.057784 -0.622747 0.005237
C 6.434220 0.204968 -0.010417
C 8.141000 -1.513419 0.022740
C 8.119209 -3.026312 0.051833
H -5.130070 -0.990936 0.893986
H -5.129852 -1.024530 -0.871138
H -6.712986 0.995911 0.856450
H -6.712698 0.962477 -0.909490
H -4.206162 1.373812 0.850028
H -4.205898 1.340128 -0.917009
H -7.635879 -1.369280 0.900761
H -7.635617 -1.402673 -0.864571
H -2.621300 -0.624917 0.885277
H -2.621152 -0.658771 -0.875350
H -9.221413 0.615818 0.862571
H -9.221139 0.582468 -0.901933
H -10.144585 -1.749144 0.908319
H -10.144223 -1.782653 -0.858458
H -1.693905 1.739805 0.846563
H -1.693758 1.705700 -0.927411
H -12.419280 -1.203167 0.013622
H -11.769886 0.165144 -0.895208
H -11.770367 0.198367 0.870702
H 0.634701 2.295374 -0.051202
H 2.807446 3.065040 -0.065786
H 1.977029 -1.202741 0.016160
H 5.241845 2.585934 -0.056315
H 4.426658 -1.653639 0.025090
H 8.600216 -1.059010 0.917488
H 8.600395 -1.093746 -0.888726
H 9.135471 -3.437586 0.059853
H 7.593777 -3.436450 -0.821710
H 7.593585 -3.402562 0.940384


%chk=000289856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289856

0 1
O -0.091128 -1.109505 0.027969
O 6.933513 -1.089869 0.014088
O 7.355752 1.203148 -0.048116
N 0.844720 1.044472 -0.027362
C -5.345935 -0.404026 -0.001791
C -6.716169 0.310116 -0.008355
C -4.149176 0.573403 -0.011892
C -7.915621 -0.664213 -0.001128
C -2.782573 -0.145698 -0.003151
C -9.285422 0.051260 -0.006340
C -10.485629 -0.922838 -0.000725
C -1.602327 0.843537 -0.016901
C -11.850140 -0.200095 -0.005474
C -0.233246 0.145593 -0.002842
C 2.237985 0.776227 -0.023058
C 3.118635 1.895809 -0.054598
C 2.777358 -0.540329 0.010808
C 5.053254 0.396582 -0.019483
C 4.508023 1.707154 -0.052864
C 4.173419 -0.715948 0.012278
C 6.532490 0.251202 -0.020169
C 8.407556 -1.325311 0.014578
C 8.611961 -2.836164 0.058909
H -5.277298 -1.058154 0.892283
H -5.277927 -1.075652 -0.882848
H -6.784362 0.980574 0.874176
H -6.783442 0.966059 -0.901813
H -4.221767 1.245741 0.869341
H -4.221035 1.226112 -0.907835
H -7.849083 -1.321034 0.891536
H -7.849124 -1.334059 -0.884060
H -2.702100 -0.795617 0.888510
H -2.703479 -0.819166 -0.877374
H -9.354042 0.720167 0.877304
H -9.353223 0.708812 -0.898540
H -10.417096 -1.579806 0.890486
H -10.416602 -1.590567 -0.883862
H -1.669609 1.520778 0.860608
H -1.666420 1.492901 -0.915428
H -12.690234 -0.918865 -0.001472
H -11.956822 0.439360 -0.902164
H -11.957391 0.449971 0.883480
H 0.591749 2.036164 -0.052120
H 2.708019 2.913404 -0.080736
H 2.098868 -1.394098 0.034950
H 5.194016 2.559946 -0.077235
H 4.595013 -1.724600 0.038218
H 8.842032 -0.811889 0.891589
H 8.833725 -0.865594 -0.895734
H 9.692928 -3.067292 0.059493
H 8.153578 -3.322155 -0.819324
H 8.164132 -3.268353 0.970092


