%chk=000185872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185872

0 1
O 1.304294 0.562203 1.340780
O -0.627349 -0.597886 0.797578
O 2.336544 -3.121826 -0.199462
O 3.146910 -0.729615 -1.559534
O 1.701158 -2.316032 2.766440
O 1.131147 2.895747 -0.507771
N -1.459656 2.577061 1.751373
C 2.355632 -1.841584 0.442208
C 2.077724 -0.749255 -0.617041
C 1.225363 -1.915833 1.487887
C 1.872070 0.640518 0.013462
C 0.501807 -0.555261 1.676482
C 0.976127 1.527082 -0.869075
C -1.848749 0.028495 1.263468
C -2.844057 -0.234608 0.098775
C -4.275487 -0.160133 0.628027
C -2.620113 0.730131 -1.063849
C -1.630722 1.456517 1.535301
H 3.349746 -1.709627 0.923339
H 1.205668 -1.056857 -1.251311
H 0.501413 -2.730979 1.219522
H 2.838382 1.161096 0.223173
H 0.231309 -0.351648 2.735696
H -0.093491 1.224307 -0.798439
H 1.307971 1.504544 -1.927309
H -2.164969 -0.493199 2.201887
H -2.634509 -1.278752 -0.259690
H 2.857317 -3.083036 -1.039756
H 3.968040 -0.356064 -1.171206
H 2.466209 -1.770021 3.054827
H -4.474677 -0.916419 1.395489
H -4.507580 0.822668 1.057037
H -4.998392 -0.328525 -0.181616
H -3.122012 0.381874 -1.973664
H -1.544024 0.828541 -1.294920
H -2.999756 1.737474 -0.851632
H 0.763110 3.053201 0.396024


%chk=000185872-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185872

0 1
O 1.241832 0.457125 1.453967
O -0.736360 -0.729627 0.672123
O 2.828903 -3.007182 -0.311693
O 3.317724 -0.535489 -1.546505
O 1.517965 -2.771842 2.502931
O 1.255298 3.059389 -0.150858
N -1.306313 2.656853 1.210496
C 2.468155 -1.790791 0.402630
C 2.194589 -0.642370 -0.591140
C 1.217793 -2.067875 1.254411
C 1.949628 0.686794 0.152106
C 0.444019 -0.750943 1.562883
C 1.226399 1.725027 -0.725165
C -1.886876 0.041182 1.182910
C -3.113554 -0.294844 0.289525
C -4.395666 0.338804 0.877286
C -2.887040 0.117271 -1.180906
C -1.587201 1.498137 1.207291
H 3.304299 -1.469349 1.073609
H 1.335314 -0.910187 -1.231553
H 0.553064 -2.746974 0.697891
H 2.916610 1.125965 0.475099
H 0.118450 -0.762740 2.620367
H 0.194096 1.378214 -0.936392
H 1.774327 1.793810 -1.683339
H -2.100581 -0.272978 2.228199
H -3.200584 -1.398050 0.340777
H 3.394846 -2.727936 -1.082093
H 4.080567 -0.079009 -1.103424
H 2.352880 -2.406438 2.893271
H -4.575676 0.016399 1.919998
H -4.341987 1.443191 0.862066
H -5.272341 0.038975 0.276658
H -3.743733 -0.204602 -1.799277
H -1.974023 -0.348456 -1.589306
H -2.796101 1.215503 -1.278435
H 0.503675 3.159342 0.496091


