%chk=000185430.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185430

1 1
O 3.479031 -2.664565 0.344972
O 1.396962 -2.114413 0.101363
N -1.626972 0.078341 0.389087
N 2.073288 0.602756 -0.254960
N 4.140798 1.490715 0.080037
N 2.604220 -1.848267 0.176614
C -0.176262 0.243897 0.709903
C 0.649366 0.446748 -0.582813
C -2.156614 -1.204046 0.175743
C -2.453109 1.210082 0.296786
C -3.508515 -1.332188 -0.143645
C -3.795582 1.052414 -0.019032
C -4.358380 -0.220642 -0.252059
C 2.840069 1.778282 -0.240955
C 2.963673 -0.459839 0.073990
C -1.287854 -2.392501 0.287046
C -1.877241 2.556442 0.546782
C 4.233690 0.131641 0.267787
C -5.789929 -0.373940 -0.579737
C 2.319848 3.121633 -0.544919
H 0.197683 -0.674825 1.248591
H -0.026937 1.084061 1.426479
H 0.523765 -0.444998 -1.255168
H 0.299640 1.336303 -1.155545
H -3.914158 -2.339665 -0.312352
H -4.437552 1.940331 -0.086108
H -0.661029 -2.558551 -0.617427
H -0.554130 -2.360063 1.120348
H -1.853913 -3.331555 0.428119
H -1.472574 2.666497 1.570001
H -1.076675 2.826369 -0.161131
H -2.636496 3.358353 0.451763
H 5.164059 -0.367108 0.528352
H -6.214616 0.489663 -1.120522
H -6.008071 -1.263425 -1.197055
H -6.403705 -0.487583 0.336635
H 1.988122 3.219257 -1.591964
H 1.505716 3.433745 0.122324
H 3.127884 3.879641 -0.420329


%chk=000185430-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185430

1 1
O 3.925021 -2.511514 0.583268
O 1.680079 -2.253492 0.204570
N -1.635116 0.015829 0.406678
N 2.101662 0.546809 -0.260718
N 4.072753 1.674023 -0.029528
N 2.902400 -1.783758 0.308072
C -0.168771 0.100159 0.716149
C 0.681300 0.303790 -0.574811
C -2.212237 -1.230247 0.140037
C -2.395641 1.188462 0.366775
C -3.573989 -1.284521 -0.205703
C -3.753423 1.111048 0.023691
C -4.381611 -0.124223 -0.277911
C 2.752320 1.787049 -0.339665
C 3.102903 -0.385104 0.114002
C -1.399476 -2.491798 0.260271
C -1.768654 2.513394 0.726882
C 4.297859 0.338283 0.249580
C -5.845648 -0.200063 -0.625240
C 2.104059 3.072274 -0.746072
H 0.149279 -0.832250 1.201859
H -0.001557 0.931988 1.416055
H 0.599610 -0.586834 -1.216571
H 0.317904 1.177273 -1.141586
H -4.006391 -2.266375 -0.415024
H -4.330373 2.039195 -0.002916
H -0.458454 -2.475705 -0.312441
H -1.119069 -2.694847 1.311903
H -1.997886 -3.345912 -0.089521
H -1.478715 2.551698 1.794081
H -0.873427 2.746761 0.125817
H -2.497180 3.320321 0.558443
H 5.275129 -0.045662 0.531035
H -6.196867 0.717157 -1.126173
H -6.069545 -1.064106 -1.272043
H -6.449349 -0.318389 0.296183
H 1.678428 3.028507 -1.765944
H 1.307843 3.389878 -0.046828
H 2.882335 3.849901 -0.739656


