%chk=000249661.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249661

0 1
O 2.920400 0.238784 0.359758
N 0.163983 -0.254193 -0.065643
N -1.219974 -0.002806 -0.025605
C 0.886472 0.794510 -0.870374
C 0.742051 -0.338377 1.323405
C 2.361335 0.350767 -0.974832
C 2.243227 -0.691006 1.225748
C 3.233477 1.399815 -1.647351
C 2.487039 -2.130831 0.790387
C -1.935766 1.087907 0.537830
C -2.142350 -0.920684 -0.587722
C -3.286554 0.841418 0.318257
C -3.415092 -0.399394 -0.377853
C -1.301773 2.243353 1.207024
C -1.728987 -2.169365 -1.260845
H 0.819566 1.812311 -0.433962
H 0.424937 0.844195 -1.879806
H 0.195894 -1.132696 1.877515
H 0.613943 0.607080 1.900986
H 2.444202 -0.641588 -1.470169
H 2.752602 -0.472981 2.195699
H 3.226671 2.346339 -1.090713
H 4.281017 1.068596 -1.675277
H 2.912148 1.601147 -2.673821
H 3.532672 -2.269766 0.487572
H 2.274384 -2.838291 1.598071
H 1.856369 -2.412731 -0.063420
H -4.101694 1.467983 0.615839
H -4.339444 -0.843919 -0.681746
H -2.014427 2.738574 1.884935
H -0.427109 1.956428 1.813878
H -0.974974 3.001018 0.479103
H -1.239668 -1.960171 -2.224279
H -1.006896 -2.737957 -0.654731
H -2.590881 -2.821568 -1.456959


%chk=000249661-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249661

0 1
O 3.010020 0.146373 0.312536
N 0.189423 -0.071935 0.040090
N -1.223723 0.059531 0.036603
C 0.926638 0.904134 -0.799602
C 0.810392 -0.261064 1.374249
C 2.366917 0.382873 -1.002666
C 2.251891 -0.792372 1.179570
C 3.262230 1.383407 -1.734026
C 2.305759 -2.241687 0.662084
C -2.011982 1.118060 0.555925
C -2.053449 -0.932468 -0.530839
C -3.345536 0.776500 0.305151
C -3.372697 -0.497772 -0.369553
C -1.455731 2.341060 1.231898
C -1.501423 -2.178906 -1.159400
H 0.979501 1.915734 -0.332646
H 0.411431 0.989512 -1.772325
H 0.206002 -0.988041 1.943847
H 0.863030 0.689566 1.952977
H 2.316983 -0.575448 -1.561546
H 2.787139 -0.722671 2.144258
H 3.329662 2.328842 -1.167112
H 4.280778 0.972788 -1.837736
H 2.866234 1.600520 -2.742808
H 3.341687 -2.503781 0.385274
H 1.974572 -2.938985 1.454085
H 1.649338 -2.381915 -0.213037
H -4.205699 1.386049 0.581342
H -4.256703 -1.040091 -0.702687
H -2.294776 2.993636 1.526912
H -0.885037 2.105346 2.150712
H -0.792462 2.935565 0.574644
H -0.805650 -1.954483 -1.989602
H -0.945519 -2.803224 -0.433933
H -2.332439 -2.782749 -1.561741


