%chk=000201972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201972

0 1
O -3.121641 -0.218073 -0.574150
O 3.126677 -0.233744 -1.810164
N 3.255395 0.149848 0.426470
C 1.038286 -0.095567 -0.647761
C 2.538051 -0.068662 -0.751731
C 2.615613 0.424633 1.736368
C 4.743502 0.186852 0.372108
C -1.087704 1.043740 -0.895604
C -1.006290 -1.339567 -0.257572
C -1.726139 -0.160958 -0.539955
C 0.313657 1.061827 -0.945740
C 0.393446 -1.290824 -0.314415
C 2.344979 1.916370 1.935484
C 5.353209 -1.125220 0.862927
C -1.876679 2.264509 -1.225818
C -1.710959 -2.609326 0.078552
C -3.747287 0.106275 0.709828
C -5.212391 -0.018255 0.430557
C -6.149419 0.196863 1.349494
H 1.664102 -0.149668 1.814443
H 3.278710 0.043639 2.545919
H 5.054076 0.374370 -0.686716
H 5.109479 1.042844 0.978424
H 0.835444 1.973568 -1.235370
H 0.977069 -2.188785 -0.114284
H 3.260085 2.513230 1.844952
H 1.636526 2.299362 1.189879
H 1.919134 2.110397 2.925915
H 5.085133 -1.346637 1.900885
H 5.014452 -1.971742 0.249938
H 6.446870 -1.094699 0.798725
H -2.945436 2.029652 -1.364904
H -1.800727 3.022008 -0.434962
H -1.530797 2.727665 -2.161288
H -1.596087 -2.867867 1.139213
H -2.790811 -2.541413 -0.136036
H -1.324393 -3.453323 -0.510877
H -3.391771 -0.615861 1.466690
H -3.450784 1.131225 0.996755
H -5.444871 -0.303223 -0.601399
H -7.206922 0.105707 1.142957
H -5.944388 0.478327 2.371864


%chk=000201972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201972

0 1
O -3.197002 -0.318562 -0.562216
O 3.048051 0.538483 -1.673916
N 3.295089 0.186011 0.611280
C 1.012175 0.183536 -0.424881
C 2.511054 0.328368 -0.534284
C 2.804650 0.352176 2.000625
C 4.769439 0.146022 0.412455
C -1.207274 0.958587 -1.168864
C -0.998707 -1.094958 0.221827
C -1.787317 -0.136740 -0.469700
C 0.198323 1.094083 -1.141566
C 0.404926 -0.912072 0.236542
C 3.027163 1.781790 2.547560
C 5.250422 -1.249470 -0.035807
C -2.081273 1.923907 -1.946198
C -1.640861 -2.293833 0.895118
C -3.967797 0.202566 0.601783
C -5.424160 0.196138 0.221960
C -6.405981 -0.352570 0.978240
H 1.729961 0.119230 2.032940
H 3.321711 -0.385637 2.644739
H 5.042244 0.892547 -0.354698
H 5.248637 0.433696 1.365033
H 0.682252 1.899582 -1.704536
H 1.032131 -1.664063 0.731406
H 4.094630 2.066012 2.529008
H 2.465699 2.518085 1.945583
H 2.676160 1.848333 3.594138
H 4.988844 -2.022102 0.709913
H 4.785386 -1.514937 -0.999846
H 6.348105 -1.253136 -0.169336
H -2.735465 1.381527 -2.651405
H -2.747878 2.501528 -1.277593
H -1.465518 2.641510 -2.513836
H -1.910666 -2.076099 1.947559
H -2.565844 -2.585772 0.369587
H -0.951619 -3.155790 0.906286
H -3.783138 -0.425937 1.495978
H -3.619691 1.235292 0.819605
H -5.662654 0.690833 -0.729489
H -7.457537 -0.301947 0.675772
H -6.188271 -0.866723 1.922835


