%chk=000281738.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281738

0 1
O 5.194547 1.443837 1.718035
O 6.208514 0.308417 -0.103020
O -2.192923 -0.844580 1.585982
O 0.403951 -1.832030 -1.768491
N -1.700940 0.313125 -0.327790
N -0.177912 -2.367144 0.369719
N 0.034026 -3.759611 0.205980
C 4.221548 1.035899 0.814132
C 2.093218 0.696363 -0.179996
C 4.832714 0.352221 -0.281851
C 2.864228 1.228631 0.893843
C 2.694748 0.028437 -1.248618
C 4.094472 -0.158289 -1.324433
C 0.639683 0.913300 -0.133121
C 6.474847 0.990390 1.166983
C -0.299604 -0.022310 -0.344048
C -3.981115 0.353847 0.497340
C -2.576263 -0.131509 0.676494
C -0.001044 -1.467643 -0.672126
C -4.922599 -0.479072 -0.119647
C -4.349197 1.615092 0.981826
C -6.242135 -0.038984 -0.259147
C -5.670934 2.046790 0.839673
C -6.615258 1.221764 0.218742
H 2.400340 1.744098 1.729686
H 2.073392 -0.377129 -2.057831
H 4.550591 -0.680407 -2.161343
H 0.345953 1.943983 0.107037
H 6.899521 0.254278 1.862225
H 7.082172 1.879046 0.951092
H -2.024627 0.922655 -1.079268
H -4.630760 -1.465785 -0.481360
H -3.614245 2.251000 1.475080
H -6.980676 -0.682137 -0.737018
H -5.966077 3.025278 1.217076
H -7.645551 1.560964 0.110424
H -0.665350 -2.126581 1.254458
H -0.387437 -4.082616 -0.677876
H 1.045183 -3.935488 0.108660


%chk=000281738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281738

0 1
O 5.087956 2.267739 1.638054
O 6.386950 0.783195 0.268021
O -2.470685 -1.543350 1.139594
O 0.704916 -1.900471 -2.096360
N -1.621969 0.082668 -0.304579
N -0.669738 -2.791408 -0.454250
N -0.680204 -4.066598 -1.090393
C 4.238396 1.418361 0.880734
C 2.194397 0.469979 -0.014906
C 5.005319 0.547558 0.076247
C 2.848680 1.414565 0.851052
C 2.984562 -0.392203 -0.833923
C 4.401322 -0.361046 -0.797294
C 0.723626 0.501605 0.003108
C 6.466479 1.780657 1.371696
C -0.244927 -0.387807 -0.397670
C -3.942292 0.272089 0.487625
C -2.630263 -0.461646 0.475250
C -0.017534 -1.738084 -1.045787
C -5.095367 -0.460074 0.870951
C -4.068771 1.650107 0.166030
C -6.358087 0.165616 0.906163
C -5.333355 2.276032 0.205622
C -6.481573 1.534355 0.568740
H 2.270653 2.099116 1.479374
H 2.479703 -1.067639 -1.530349
H 4.998201 -1.014687 -1.438210
H 0.315082 1.407618 0.478018
H 6.856493 1.280773 2.277473
H 7.089894 2.627115 1.043118
H -1.860911 0.887654 -0.888442
H -4.973463 -1.514123 1.139724
H -3.187867 2.257400 -0.077197
H -7.243670 -0.409704 1.196343
H -5.422025 3.340705 -0.035663
H -7.462137 2.021976 0.597536
H -1.359657 -2.610112 0.305546
H -0.298389 -3.946824 -2.042784
H -0.120746 -4.743004 -0.550710


