%chk=000085379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000085379

0 1
O -2.980544 -0.696995 -0.969864
O -1.369840 -3.446969 0.821864
O -3.182500 2.662426 0.471242
N 0.711532 0.462955 0.071040
N -0.952060 -1.301582 -0.073357
N -1.640620 1.007924 -0.208206
C 0.335526 -0.902743 0.558713
C -0.361987 1.451453 0.412847
C 2.048414 0.897090 0.589796
C 3.154148 0.160087 -0.184055
C -1.919180 -0.351366 -0.458697
C 4.542216 0.678440 0.213071
C -1.163803 -2.728959 -0.391071
C -2.589458 2.043868 -0.666691
C 5.648520 -0.056541 -0.539520
H 0.215987 -0.962323 1.669372
H 1.137321 -1.620209 0.254061
H -0.073111 2.446040 -0.007691
H -0.528610 1.568381 1.512756
H 2.161744 0.732696 1.683192
H 2.152104 1.992795 0.419627
H 2.991998 0.290302 -1.274240
H 3.091320 -0.930711 -0.007144
H 4.694147 0.563012 1.304336
H 4.613583 1.765341 0.009224
H -0.246048 -3.197580 -0.805906
H -2.042395 -2.846470 -1.065725
H -3.373243 1.587873 -1.313758
H -2.067044 2.887637 -1.165864
H 6.637915 0.323137 -0.259282
H 5.638994 -1.131932 -0.327625
H 5.548220 0.063278 -1.624848
H -2.205910 -3.179287 1.260137
H -3.747939 2.033134 0.968266


%chk=000085379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085379

0 1
O -3.086295 -0.674937 -0.635431
O -2.247078 -3.041014 0.833262
O -3.688649 1.884430 0.635920
N 0.787142 0.492519 -0.011817
N -0.882051 -1.245053 -0.123923
N -1.553134 1.034038 -0.215685
C 0.429534 -0.867346 0.436097
C -0.266008 1.455080 0.368024
C 2.134728 0.928574 0.437349
C 3.283268 0.127298 -0.209203
C -1.885849 -0.309233 -0.341800
C 4.666744 0.743100 0.104880
C -1.287968 -2.660566 -0.193580
C -2.656425 1.996026 -0.385004
C 5.828778 -0.066247 -0.509468
H 0.402704 -0.946666 1.556098
H 1.187994 -1.574801 0.061916
H 0.004933 2.445224 -0.039830
H -0.369938 1.556002 1.481092
H 2.233357 0.886571 1.553072
H 2.242456 1.991882 0.147108
H 3.120720 0.101679 -1.304035
H 3.277180 -0.923399 0.144495
H 4.802314 0.808635 1.203947
H 4.698079 1.783804 -0.277035
H -0.396830 -3.282695 -0.019768
H -1.703754 -2.849950 -1.201094
H -3.089885 1.846264 -1.391561
H -2.245021 3.012167 -0.287871
H 6.806198 0.396557 -0.281896
H 5.845342 -1.099995 -0.115716
H 5.731521 -0.127668 -1.609555
H -3.095481 -2.574558 0.600846
H -4.149230 1.018481 0.466166


