%chk=000219045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219045

0 1
O -5.706292 1.034395 -0.061385
O 4.724231 1.665882 -0.078199
N -2.194769 1.520626 0.045866
N -3.550437 1.725441 0.070931
N 3.936159 -0.502128 0.028704
C -2.619808 -0.927011 0.234678
C -1.974385 -2.164011 -0.406319
C -0.592066 -2.414927 0.202506
C -1.723322 0.297365 0.096451
C -4.007875 -0.666959 -0.372812
C 0.289263 -1.198832 0.117079
C -0.262672 0.100653 0.073633
C -4.532527 0.722771 -0.101444
C 1.676620 -1.374749 0.102935
C 0.607761 1.206509 0.007853
C 2.529821 -0.253757 0.040263
C 1.988678 1.042526 -0.008630
C 4.960239 0.478197 -0.030411
C 6.346171 -0.104122 -0.027295
H -2.739490 -1.108544 1.337325
H -1.879519 -2.020685 -1.502009
H -2.620865 -3.050812 -0.266348
H -0.117153 -3.281231 -0.302276
H -0.688534 -2.710815 1.270297
H -4.740261 -1.412738 0.002831
H -3.992031 -0.810891 -1.476877
H 2.089421 -2.379020 0.139459
H 0.191649 2.219425 -0.030142
H -3.818675 2.712100 0.164191
H 2.645224 1.918662 -0.059239
H 4.210658 -1.486057 0.066733
H 6.562841 -0.676277 0.884495
H 7.090533 0.710300 -0.074768
H 6.534310 -0.753785 -0.892278


%chk=000219045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219045

0 1
O -5.817075 0.976472 -0.120622
O 4.844578 1.725021 -0.155757
N -2.224080 1.523560 0.201186
N -3.624640 1.653433 0.236429
N 3.956684 -0.444810 0.014514
C -2.656929 -0.939372 0.185414
C -1.956289 -2.199741 -0.368010
C -0.593934 -2.415525 0.323254
C -1.741247 0.286379 0.148537
C -3.980969 -0.633142 -0.553084
C 0.298539 -1.190390 0.183925
C -0.276299 0.115557 0.105638
C -4.583633 0.699529 -0.121599
C 1.699709 -1.329330 0.145774
C 0.592082 1.238984 -0.000161
C 2.556228 -0.202214 0.044674
C 1.987436 1.101668 -0.027668
C 5.010361 0.474340 -0.080112
C 6.392314 -0.180932 -0.086419
H -2.894021 -1.122681 1.258842
H -1.805416 -2.083766 -1.459760
H -2.608745 -3.080454 -0.216379
H -0.086297 -3.305178 -0.093567
H -0.767224 -2.628732 1.399292
H -4.730937 -1.423097 -0.382963
H -3.801212 -0.582840 -1.646794
H 2.132775 -2.338117 0.197834
H 0.141075 2.233770 -0.059851
H -3.944982 2.605222 0.427257
H 2.643829 1.969118 -0.108090
H 4.229553 -1.429540 0.070495
H 6.567694 -0.762218 0.837989
H 7.153224 0.609343 -0.155303
H 6.510745 -0.862812 -0.949117


