%chk=000269744.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269744

0 1
O 6.847338 -0.108380 0.640725
O -6.846725 0.105546 0.640888
N 0.689998 -1.166289 -0.776488
N -0.689254 1.169924 -0.771711
N -0.669114 -1.226000 -0.444871
N 0.669847 1.228318 -0.439851
C 2.790519 0.068494 -0.186024
C -2.789790 -0.067383 -0.186284
C 1.341143 0.098770 -0.450620
C -1.340426 -0.096399 -0.451014
C 3.657505 0.805307 -1.005824
C -3.656386 -0.803283 -1.007348
C 3.301335 -0.688362 0.887580
C -3.301067 0.687242 0.888670
C 5.525978 0.018800 0.287772
C -5.525300 -0.020200 0.287676
C 5.035754 0.783830 -0.778370
C -5.034631 -0.783057 -0.779820
C 4.666524 -0.721591 1.131168
C -4.666268 0.719208 1.132355
C 7.833022 0.609954 -0.141902
C -7.832006 -0.611901 -0.143061
H 3.249246 1.400916 -1.826570
H -3.247784 -1.397199 -1.829161
H 2.622593 -1.242334 1.537228
H -2.622686 1.240457 1.539339
H 1.168820 -2.013199 -0.432586
H -1.168075 2.015521 -0.424675
H 5.697446 1.355662 -1.420551
H -5.695991 -1.354166 -1.422988
H 5.089212 -1.296100 1.952857
H -5.089273 1.292009 1.955072
H 8.766824 0.325996 0.361622
H 7.824132 0.259645 -1.177963
H 7.661970 1.687969 -0.071368
H -7.660382 -1.689950 -0.074455
H -8.765973 -0.329343 0.360944
H -7.823273 -0.259731 -1.178492


%chk=000269744-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269744

0 1
O 6.910802 -0.407523 0.560964
O -6.910004 0.405598 0.562436
N 0.630234 -1.108269 -1.139470
N -0.629515 1.111124 -1.136338
N -0.752820 -1.215112 -0.700098
N 0.753559 1.216735 -0.696714
C 2.792812 -0.069344 -0.397616
C -2.792059 0.070124 -0.397296
C 1.360649 0.037131 -0.747778
C -1.359912 -0.035372 -0.747830
C 3.622174 1.079502 -0.482185
C -3.621391 -1.078517 -0.484897
C 3.380675 -1.298956 0.015011
C -3.379933 1.298606 0.018672
C 5.562592 -0.220803 0.232637
C -5.561804 0.219809 0.233530
C 4.993412 1.015751 -0.171035
C -4.992609 -1.015643 -0.173490
C 4.748404 -1.377478 0.325558
C -4.747646 1.376254 0.329509
C 7.794864 0.760473 0.499764
C -7.794029 -0.762261 0.498112
H 3.169509 2.024147 -0.798571
H -3.168717 -2.022295 -0.803846
H 2.766704 -2.199557 0.134919
H -2.765976 2.198903 0.140940
H 1.089845 -2.017903 -1.122760
H -1.089126 2.020706 -1.117038
H 5.604004 1.920077 -0.249499
H -5.603182 -1.919774 -0.254317
H 5.206473 -2.316029 0.650906
H -5.205725 2.313915 0.657400
H 8.783897 0.386849 0.802249
H 7.848664 1.170051 -0.527393
H 7.463917 1.551626 1.199887
H -7.463048 -1.555276 1.196110
H -8.783072 -0.389483 0.801606
H -7.847816 -1.169084 -0.530139


