%chk=000191982.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191982

0 1
O -0.965370 3.498088 -1.250154
N 0.041793 1.821046 -0.073517
C 1.302550 1.179592 0.400131
C -1.274871 1.235168 0.330360
C 2.108989 0.647827 -0.812714
C -1.450205 -0.152790 -0.332962
C 2.128505 2.155816 1.243698
C -1.397504 1.162503 1.853562
C 3.146510 -0.347034 -0.372810
C -2.864063 -0.644377 -0.192338
C 0.069103 2.976092 -0.862794
C 4.481163 0.048901 -0.197743
C -3.173730 -1.668296 0.715311
C 2.782550 -1.681516 -0.131991
C -3.884630 -0.079400 -0.974275
C 5.439825 -0.881498 0.213000
C -4.490004 -2.123608 0.835503
C 3.745105 -2.606840 0.279016
C -5.197914 -0.537243 -0.848428
C 5.074950 -2.209768 0.453005
C -5.504083 -1.560484 0.055400
H 1.017882 0.303871 1.046750
H -2.074334 1.929211 -0.067208
H 2.577895 1.484792 -1.365772
H 1.417597 0.177036 -1.543693
H -0.733797 -0.879962 0.094827
H -1.186310 -0.081471 -1.409883
H 1.536031 2.565675 2.071355
H 2.510753 3.003560 0.666787
H 2.997754 1.646180 1.680669
H -1.273383 2.152346 2.309170
H -0.661505 0.492988 2.309931
H -2.392540 0.793071 2.137889
H 1.069415 3.362788 -1.107510
H 4.773312 1.080300 -0.383529
H -2.391424 -2.110079 1.327903
H 1.751167 -1.998950 -0.269959
H -3.652476 0.719202 -1.678287
H 6.474955 -0.569891 0.345246
H -4.724916 -2.919700 1.539926
H 3.458647 -3.641432 0.462586
H -5.985918 -0.095205 -1.456495
H 5.822954 -2.932445 0.771920
H -6.527526 -1.915863 0.150315


%chk=000191982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191982

0 1
O -0.920541 3.529807 -1.356603
N 0.042196 1.812696 -0.063765
C 1.300111 1.152846 0.399127
C -1.286549 1.249814 0.316163
C 2.127171 0.595249 -0.808929
C -1.513670 -0.138272 -0.363668
C 2.134866 2.073758 1.316503
C -1.478944 1.207991 1.846312
C 3.231293 -0.359179 -0.378032
C -2.943783 -0.638013 -0.215535
C 0.088040 2.924019 -0.884937
C 4.586102 0.056451 -0.319481
C -3.259867 -1.738065 0.621194
C 2.917756 -1.692732 -0.003438
C -3.999113 0.007634 -0.913420
C 5.600751 -0.831568 0.105408
C -4.594432 -2.184638 0.760654
C 3.927147 -2.583824 0.422841
C -5.333086 -0.434160 -0.776377
C 5.274098 -2.154965 0.480424
C -5.636419 -1.532797 0.062471
H 0.980036 0.280169 0.997566
H -2.016670 1.960768 -0.113635
H 2.557206 1.443553 -1.374601
H 1.420262 0.078428 -1.485321
H -0.810838 -0.880300 0.065163
H -1.263948 -0.024522 -1.436277
H 1.533368 2.406527 2.180144
H 2.484059 2.973123 0.777077
H 3.022291 1.535268 1.691784
H -1.360989 2.216917 2.278391
H -0.758667 0.528952 2.341256
H -2.494096 0.845445 2.083269
H 1.125498 3.258547 -1.106235
H 4.847290 1.080473 -0.614358
H -2.455417 -2.249858 1.164567
H 1.877492 -2.039346 -0.062313
H -3.771242 0.855529 -1.571846
H 6.642719 -0.493801 0.139695
H -4.819745 -3.038714 1.409560
H 3.667566 -3.611366 0.701964
H -6.134579 0.073980 -1.324519
H 6.059351 -2.845871 0.806782
H -6.671174 -1.877751 0.167175


