%chk=000147335.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000147335

0 1
O -2.036848 3.555400 0.025290
O -2.552975 -2.914020 -0.802670
O -1.212511 -3.429220 0.805864
N -1.677566 -2.638867 0.000063
C 0.758666 0.288155 -0.007007
C 0.247862 -1.057803 0.013380
C 2.206704 0.514133 -0.024248
C -2.070026 -0.173848 -0.019998
C -1.140742 -1.258526 -0.002890
C -1.532964 1.149871 -0.005096
C -0.138461 1.349164 -0.007281
C 3.084300 -0.593852 -0.013996
C 1.200796 -2.156116 0.033862
C 2.535052 -1.937407 0.020273
C -2.465526 2.253429 0.006787
C -3.490808 -0.341409 -0.031850
C 2.759826 1.817374 -0.054176
C 4.484295 -0.388492 -0.033735
C -3.829854 2.070075 0.003005
C -4.333793 0.742918 -0.020116
C 4.133023 2.004228 -0.073154
C 5.003047 0.895568 -0.063093
H 0.238765 2.379998 -0.010118
H 0.814156 -3.180619 0.083986
H 3.240491 -2.771886 0.038408
H -3.911224 -1.350182 -0.074642
H 2.098844 2.683806 -0.062913
H 5.151093 -1.250952 -0.025398
H -4.505912 2.922627 0.014266
H -5.417292 0.601131 -0.030766
H 4.549526 3.011252 -0.096148
H 6.080317 1.056651 -0.078389
H -1.047362 3.631720 0.028400


%chk=000147335-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147335

0 1
O -2.073706 3.616492 0.008346
O -2.539190 -2.979663 -0.884505
O -1.249769 -3.445984 0.934422
N -1.677465 -2.639636 0.017386
C 0.764076 0.296570 -0.003317
C 0.253518 -1.067240 0.021929
C 2.218515 0.530482 -0.020851
C -2.109167 -0.185636 -0.027709
C -1.155735 -1.252765 0.002291
C -1.566980 1.166156 -0.016182
C -0.161887 1.358567 -0.013185
C 3.107162 -0.600951 -0.020023
C 1.196994 -2.169391 0.020674
C 2.554838 -1.938393 -0.005379
C -2.495212 2.279552 -0.005262
C -3.531804 -0.371446 -0.026993
C 2.800257 1.833402 -0.040740
C 4.519628 -0.401685 -0.037711
C -3.872438 2.067431 -0.002070
C -4.380549 0.735659 -0.009628
C 4.192312 2.013485 -0.057215
C 5.063335 0.889414 -0.055832
H 0.238495 2.378732 -0.021262
H 0.824138 -3.194591 0.052628
H 3.250921 -2.785188 -0.009428
H -3.951573 -1.377937 -0.057742
H 2.166842 2.725920 -0.043386
H 5.176380 -1.279376 -0.036679
H -4.541783 2.931652 0.008313
H -5.464912 0.585072 -0.007818
H 4.608915 3.026321 -0.071219
H 6.148469 1.035042 -0.068971
H -1.089725 3.704234 0.013018


