%chk=000180131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180131

0 1
O 0.445312 0.995856 -0.000269
O 7.342549 0.960878 -0.001051
O 1.104588 -1.212497 0.000120
N 2.636271 0.590813 -0.000404
C -3.641654 0.202306 -0.000056
C -5.104186 -0.033131 0.000010
C -2.952143 0.311244 1.218872
C -2.952156 0.310640 -1.219046
C -0.920139 0.640520 -0.000180
C -1.572968 0.529092 1.230398
C -1.572982 0.528481 -1.230696
C -5.602100 -1.344590 0.000598
C -5.990029 1.054468 -0.000516
C 3.894654 -0.089492 -0.000392
C -6.982234 -1.563762 0.000656
C -7.368981 0.827420 -0.000451
C 5.045514 0.713676 -0.000722
C 6.295601 0.069493 -0.000716
C 3.985990 -1.493669 -0.000071
C -7.866395 -0.479860 0.000133
C 6.417344 -1.327429 -0.000397
C 5.245974 -2.090814 -0.000078
C 1.389037 -0.042188 -0.000095
C 8.689673 0.427157 -0.001107
H -3.496645 0.221167 2.159381
H -3.496670 0.220094 -2.159504
H -1.017149 0.612074 2.161837
H -1.017173 0.610999 -2.162182
H -4.912264 -2.187424 0.001004
H -5.601669 2.071556 -0.000969
H 5.007998 1.798859 -0.000980
H -7.369105 -2.581650 0.001111
H -8.057039 1.671303 -0.000857
H 3.084531 -2.111828 0.000178
H 2.648597 1.617718 -0.000626
H -8.940711 -0.653657 0.000181
H 7.384106 -1.815039 -0.000394
H 5.318685 -3.180443 0.000175
H 8.865688 -0.158719 -0.907780
H 8.865937 -0.158275 0.905804
H 9.293043 1.344550 -0.001416


%chk=000180131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180131

0 1
O 0.477752 1.059107 0.000374
O 7.437103 0.984001 -0.000710
O 1.086114 -1.236859 -0.000207
N 2.669041 0.535481 0.000067
C -3.698720 0.252279 0.000117
C -5.176044 -0.020223 0.000030
C -2.986495 0.377950 1.221538
C -2.986472 0.378591 -1.221224
C -0.917400 0.738652 0.000270
C -1.595387 0.620743 1.228143
C -1.595361 0.621367 -1.227677
C -5.660410 -1.354553 0.002185
C -6.111561 1.047323 -0.002212
C 3.924880 -0.134703 -0.000306
C -7.049713 -1.615895 0.002089
C -7.501131 0.786287 -0.002292
C 5.083842 0.675744 -0.000349
C 6.364437 0.077861 -0.000698
C 4.040269 -1.551911 -0.000617
C -7.974541 -0.546180 -0.000146
C 6.500720 -1.332419 -0.001008
C 5.327900 -2.121962 -0.000961
C 1.409272 -0.030840 0.000162
C 8.791436 0.426296 -0.001063
H -3.525488 0.280939 2.170053
H -3.525439 0.282022 -2.169799
H -1.040768 0.715633 2.166830
H -1.040717 0.716699 -2.166305
H -4.944825 -2.184590 0.003891
H -5.746661 2.080793 -0.003855
H 5.019977 1.769614 -0.000116
H -7.408266 -2.651479 0.003739
H -8.211474 1.620855 -0.004010
H 3.143904 -2.174056 -0.000584
H 2.680456 1.557897 0.000291
H -9.051520 -0.748426 -0.000215
H 7.483320 -1.811496 -0.001281
H 5.422666 -3.213571 -0.001198
H 8.975476 -0.184888 -0.905933
H 8.975801 -0.185244 0.903499
H 9.460730 1.299057 -0.001012


