%chk=000205707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205707

0 1
O -4.584248 1.586251 -0.269066
N -2.285315 0.068522 0.675333
C 0.114406 -1.690131 -0.148186
C -0.828631 -1.965541 1.060017
C 0.576653 -2.999990 -0.880032
C -1.448081 -0.679599 1.650641
C 1.315433 -0.841387 0.296718
C -3.585242 -0.592484 0.392820
C -2.511748 1.476183 1.098245
C 1.469991 -2.660734 -2.099181
C -0.620674 -3.865619 -1.345550
C 1.508462 0.507743 -0.152563
C -4.354163 0.192833 -0.682583
C -3.292856 2.235372 0.014691
C 2.267891 -1.394644 1.170071
C 2.691805 1.236946 0.270516
C 3.421050 -0.673269 1.597710
C 0.573625 1.179963 -1.002036
C 3.635902 0.615240 1.149624
C 2.898428 2.578704 -0.194466
C 0.798235 2.486756 -1.436468
C 1.976579 3.195731 -1.037138
H -0.486752 -1.121786 -0.884463
H -0.269065 -2.478803 1.867682
H -1.635927 -2.655684 0.753921
H 1.179643 -3.604074 -0.169337
H -2.035754 -0.942678 2.567429
H -0.633067 -0.005059 1.974253
H -4.213403 -0.661041 1.317815
H -3.406887 -1.620738 0.027781
H -1.530474 1.963792 1.249363
H -3.080159 1.528648 2.061308
H 1.820706 -3.584559 -2.595541
H 0.901566 -2.071597 -2.845255
H 2.356362 -2.071112 -1.807630
H -1.319080 -3.267214 -1.963211
H -0.264386 -4.708020 -1.967161
H -1.190040 -4.296690 -0.503149
H -3.780063 0.175115 -1.635128
H -5.357130 -0.234933 -0.847198
H -3.543324 3.257065 0.344993
H -2.686001 2.283063 -0.916234
H 2.131759 -2.421005 1.530062
H 4.137877 -1.149746 2.275732
H -0.353348 0.670023 -1.288477
H 4.524780 1.176258 1.461770
H 3.800258 3.112461 0.129698
H 0.065376 2.977855 -2.086625
H 2.144125 4.219810 -1.388809


%chk=000205707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000205707

0 1
O -4.582502 1.592371 -0.254455
N -2.289854 0.061950 0.684318
C 0.106387 -1.696770 -0.152379
C -0.836617 -1.976988 1.055285
C 0.581355 -3.005636 -0.876998
C -1.456092 -0.695341 1.655218
C 1.301473 -0.836894 0.289420
C -3.590650 -0.594020 0.393441
C -2.513927 1.466801 1.117401
C 1.469883 -2.664101 -2.099007
C -0.607107 -3.887034 -1.335416
C 1.505193 0.523582 -0.169355
C -4.354807 0.201583 -0.677818
C -3.290236 2.236308 0.037875
C 2.243386 -1.391936 1.171223
C 2.691185 1.249544 0.261141
C 3.397019 -0.673912 1.605198
C 0.581804 1.209315 -1.033928
C 3.624439 0.624787 1.150125
C 2.911820 2.588992 -0.205833
C 0.822994 2.514725 -1.469011
C 2.002419 3.212966 -1.059759
H -0.497198 -1.137749 -0.890277
H -0.276734 -2.495412 1.859555
H -1.644466 -2.664968 0.745202
H 1.191869 -3.598492 -0.162939
H -2.046446 -0.965556 2.568190
H -0.641134 -0.024683 1.986682
H -4.221291 -0.668276 1.316286
H -3.413479 -1.619869 0.020944
H -1.531898 1.950829 1.274615
H -3.084469 1.513324 2.079471
H 1.830789 -3.587053 -2.589644
H 0.894359 -2.086287 -2.848493
H 2.349654 -2.062497 -1.811753
H -1.313221 -3.300002 -1.955299
H -0.242679 -4.729085 -1.952839
H -1.170018 -4.319260 -0.489334
H -3.778322 0.189603 -1.629051
H -5.358414 -0.222371 -0.848252
H -3.539309 3.255876 0.375639
H -2.680686 2.290014 -0.890800
H 2.099192 -2.416909 1.533665
H 4.105481 -1.152668 2.290423
H -0.346010 0.711418 -1.329197
H 4.513598 1.182847 1.467060
H 3.814804 3.116407 0.125404
H 0.101403 3.011877 -2.127412
H 2.182153 4.234846 -1.411824


