%chk=000206844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206844

0 1
O 2.703547 2.952358 -0.750559
N 2.355677 0.739697 -0.335713
N -0.448051 1.898591 0.410091
C 1.598600 -0.393570 0.074585
C 0.245051 -0.508383 0.428133
C 2.464059 -1.537914 -0.000677
C -0.695126 0.632250 0.316056
C 3.661723 0.270161 -0.721896
C 3.743530 -1.079044 -0.516668
C 2.017590 2.125282 -0.199390
C -0.193464 -1.781282 0.821074
C 0.860546 2.458113 0.733941
C 1.986053 -2.791290 0.384076
C -2.117438 0.275701 0.015348
C 0.662771 -2.894381 0.815376
C -2.418139 -0.451701 -1.146383
C -3.142215 0.676177 0.883724
C -3.744765 -0.783888 -1.430016
C -4.466981 0.334760 0.594809
C -4.768851 -0.394660 -0.559149
H 4.388124 0.976158 -1.097798
H 4.586058 -1.718761 -0.699852
H -1.233190 -1.915543 1.130194
H 0.720139 3.575724 0.701661
H 1.163427 2.216568 1.783419
H 2.633781 -3.665311 0.343272
H 0.275596 -3.860331 1.138584
H -1.619645 -0.751053 -1.824972
H -2.905819 1.261975 1.771903
H -3.981902 -1.344539 -2.332974
H -5.264753 0.644774 1.268096
H -5.801734 -0.656238 -0.783396


%chk=000206844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206844

0 1
O 2.642510 3.095897 -0.485577
N 2.306844 0.787334 -0.358896
N -0.465408 1.843336 0.578791
C 1.625871 -0.380652 0.067088
C 0.274715 -0.548799 0.473366
C 2.521450 -1.487427 -0.125817
C -0.726660 0.561266 0.398343
C 3.584594 0.406086 -0.860132
C 3.742088 -0.958428 -0.720393
C 1.987382 2.136174 -0.015832
C -0.095851 -1.871668 0.850165
C 0.876610 2.274350 1.033011
C 2.107909 -2.788308 0.241276
C -2.148890 0.231772 0.046720
C 0.807467 -2.959590 0.765982
C -2.481647 -0.829520 -0.838325
C -3.193301 1.042687 0.567953
C -3.828224 -1.078371 -1.184158
C -4.537429 0.787384 0.229490
C -4.861107 -0.276324 -0.647208
H 4.258543 1.178051 -1.224181
H 4.626786 -1.529452 -0.997277
H -1.117376 -2.048675 1.200077
H 0.823862 3.342707 1.290457
H 1.202423 1.700438 1.929819
H 2.777819 -3.645175 0.113784
H 0.473996 -3.954233 1.079839
H -1.688425 -1.443448 -1.277363
H -2.924126 1.873181 1.227685
H -4.069309 -1.892021 -1.877219
H -5.332938 1.415573 0.645453
H -5.905980 -0.473747 -0.912022


