%chk=000216957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216957

0 1
O 6.911104 0.742312 -0.021503
O 0.783755 -3.004924 0.190019
N 4.227224 -0.230624 -0.038632
N 0.497443 -0.811033 -0.240969
N -0.118300 0.406639 -0.196399
C -1.315742 -2.125098 1.047406
C -2.427942 -1.731772 0.086335
C 2.865203 -0.492036 0.525295
C 1.929855 -0.710978 -0.683654
C 0.045888 -2.043425 0.306864
C 4.514674 1.240175 -0.098468
C 5.292919 -0.930124 0.750276
C -1.304795 -1.220578 2.289135
C -1.430653 -3.582015 1.534173
C -2.460859 -0.454854 -0.508281
C 5.887353 1.441562 -0.759353
C 6.648137 -0.673152 0.071337
C -1.412122 0.567628 -0.287425
C -3.457292 -2.638876 -0.223293
C -3.504813 -0.115558 -1.391642
C -1.868090 1.985122 -0.180136
C -4.487706 -2.296187 -1.097857
C -4.512991 -1.028164 -1.688365
C -2.866092 2.316191 0.750629
C -1.305909 2.980054 -0.992957
C -3.297716 3.639514 0.862437
C -1.746133 4.301857 -0.876372
C -2.740281 4.632787 0.049194
H 2.483768 0.332172 1.164845
H 2.859974 -1.405698 1.158821
H 2.191760 -1.660924 -1.207458
H 2.032433 0.114428 -1.420950
H 4.504718 1.724939 0.901648
H 3.723560 1.727176 -0.707619
H 5.071754 -2.019551 0.745421
H 5.334975 -0.601881 1.810675
H -2.226321 -1.358158 2.869896
H -0.463847 -1.462501 2.950893
H -1.236663 -0.152067 2.061448
H -0.588028 -3.843325 2.190238
H -2.353260 -3.753476 2.096425
H -1.385256 -4.294513 0.698684
H 5.894308 1.087593 -1.805325
H 6.228846 2.489506 -0.704252
H 7.495444 -1.032513 0.680291
H 6.686858 -1.111987 -0.941419
H -3.465796 -3.636213 0.218050
H -3.519165 0.874527 -1.852506
H -5.272480 -3.017710 -1.322381
H -5.313226 -0.758389 -2.375543
H -3.302602 1.541906 1.380351
H -0.522987 2.721005 -1.705907
H -4.070033 3.898586 1.585026
H -1.310106 5.074904 -1.507416
H -3.080151 5.663119 0.138771


%chk=000216957-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216957

0 1
O 6.851213 0.921869 -0.236786
O 0.816964 -3.126887 0.305763
N 4.202911 -0.253308 -0.052817
N 0.455771 -0.907767 -0.224782
N -0.123910 0.364245 -0.123682
C -1.332054 -2.183270 1.095705
C -2.420749 -1.789895 0.075247
C 2.841695 -0.519666 0.461023
C 1.864890 -0.824153 -0.699462
C 0.041002 -2.126185 0.359908
C 4.393123 1.148526 -0.504165
C 5.283841 -0.644601 0.887024
C -1.327435 -1.248718 2.350063
C -1.501885 -3.631971 1.616766
C -2.471370 -0.468207 -0.471857
C 5.773221 1.305281 -1.163805
C 6.651215 -0.469368 0.205860
C -1.436846 0.564706 -0.199301
C -3.403366 -2.725220 -0.341837
C -3.502933 -0.130492 -1.397151
C -1.835511 2.002306 -0.061905
C -4.414361 -2.381287 -1.261921
C -4.465287 -1.073925 -1.797045
C -3.100616 2.357665 0.481479
C -0.934398 3.040412 -0.426771
C -3.456721 3.713979 0.648316
C -1.293895 4.393086 -0.265720
C -2.557776 4.737859 0.272666
H 2.438405 0.335718 1.055877
H 2.877794 -1.403982 1.122357
H 2.127795 -1.788930 -1.157588
H 1.900695 -0.032124 -1.463215
H 4.312840 1.863455 0.353880
H 3.606703 1.412461 -1.235893
H 5.147037 -1.705534 1.168562
H 5.263891 -0.030964 1.823015
H -2.286016 -1.367514 2.886305
H -0.513100 -1.553367 3.031884
H -1.195007 -0.181440 2.119925
H -0.693621 -3.864107 2.328636
H -2.470130 -3.737615 2.138356
H -1.433854 -4.377235 0.807660
H 5.821635 0.673878 -2.077183
H 5.972589 2.357487 -1.426804
H 7.476674 -0.676742 0.906799
H 6.718817 -1.152956 -0.667748
H -3.386211 -3.740711 0.059874
H -3.523872 0.879380 -1.818706
H -5.158558 -3.129253 -1.557085
H -5.239887 -0.796731 -2.519904
H -3.800668 1.572035 0.785343
H 0.044485 2.763787 -0.829402
H -4.432911 3.970056 1.075003
H -0.591803 5.181119 -0.560414
H -2.835859 5.790213 0.398154


