%chk=000244834.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244834

0 1
O 2.021726 -2.710795 -0.016897
O 3.022080 -1.072229 1.682647
O 0.460887 -2.518448 -1.896109
O 3.932592 0.854597 0.091121
O 3.067100 3.072853 1.556227
N -1.655099 -0.992255 -1.214466
N -0.384105 0.706730 -0.343561
C 2.058213 -1.348360 -0.504839
C 2.046592 -0.504838 0.788864
C 0.860510 -1.208270 -1.484559
C 2.571555 0.924946 0.534257
C -0.356858 -0.482581 -0.977264
C 2.504545 1.782911 1.810093
C -2.556546 -0.050762 -0.688831
C -1.745379 1.007998 -0.145233
C -3.962189 -0.010713 -0.626911
C -2.357456 2.122366 0.465037
C -4.529893 1.095571 -0.020551
C -3.738609 2.148019 0.517779
H 3.015907 -1.179264 -1.053303
H 1.058735 -0.520092 1.298890
H 1.191910 -0.726320 -2.443105
H 2.047060 1.424665 -0.316866
H 3.050780 1.313519 2.649706
H 1.462372 2.002509 2.109701
H -1.874415 -1.843914 -1.702533
H 2.601929 -3.277642 -0.575305
H 2.865579 -2.046537 1.771453
H 0.425388 -3.125131 -1.099213
H 4.461116 0.305630 0.725604
H -4.564546 -0.813568 -1.039615
H -1.741909 2.924153 0.870776
H -5.614813 1.175717 0.052239
H -4.248389 2.992769 0.980789
H 3.903729 2.971563 1.040478


%chk=000244834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244834

0 1
O 1.382662 -2.663968 0.071526
O 3.023524 -1.235891 1.688456
O 0.562215 -2.055527 -2.344404
O 4.340660 0.512746 0.091461
O 3.782225 3.028456 1.125351
N -1.644379 -0.756397 -1.466477
N -0.581454 0.567797 0.054041
C 1.905614 -1.377136 -0.416779
C 2.157363 -0.428610 0.765594
C 0.866482 -0.912459 -1.468378
C 2.927319 0.848654 0.368988
C -0.431905 -0.365503 -0.906025
C 2.871278 1.938521 1.458095
C -2.662898 -0.038688 -0.825782
C -1.978063 0.791442 0.129932
C -4.065351 -0.023006 -0.971062
C -2.713733 1.665348 0.961874
C -4.780871 0.856443 -0.130558
C -4.116437 1.687137 0.819631
H 2.866592 -1.545166 -0.947824
H 1.204074 -0.164096 1.254148
H 1.329775 -0.149237 -2.119024
H 2.538382 1.268231 -0.573902
H 3.128018 1.498704 2.451727
H 1.858158 2.371797 1.508940
H -1.703748 -1.451092 -2.211555
H 1.959790 -2.933709 0.832842
H 2.826528 -0.987171 2.624850
H 0.635727 -2.862085 -1.758431
H 4.582140 -0.198158 0.749700
H -4.583135 -0.655925 -1.699001
H -2.201391 2.304313 1.687637
H -5.872441 0.903919 -0.210343
H -4.712341 2.356660 1.449317
H 4.599719 2.598455 0.751934


