%chk=000230803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230803

0 1
O 4.426617 -2.829629 -0.634359
O 2.294376 -3.077023 -0.420217
O 5.440298 3.151594 0.424656
O 6.591689 1.386940 -0.069722
N 0.761417 -1.088329 0.178400
N -0.433050 -0.448339 0.459324
N 3.318173 -2.384127 -0.407764
N 5.543317 1.961252 0.175548
C -3.680082 0.082932 -0.257971
C -2.774860 -0.318958 0.782862
C -4.855914 0.790982 0.106486
C -1.558469 -1.110342 0.439954
C -3.027453 -0.003373 2.099134
C -3.438990 -0.193797 -1.641499
C -5.101206 1.093994 1.483803
C -5.774684 1.194762 -0.914787
C -4.207819 0.710228 2.451572
C 1.919825 -0.341005 0.176493
C -4.335390 0.207977 -2.599831
C -5.521095 0.908875 -2.232317
C -1.766119 -2.560461 0.143621
C 3.180018 -0.969797 -0.107698
C 1.910606 1.068352 0.453509
C 4.363748 -0.196947 -0.103461
C 4.313066 1.160579 0.171014
C 3.067187 1.798852 0.451946
H -2.331618 -0.290358 2.887892
H -2.527818 -0.719462 -1.923675
H -6.008647 1.638529 1.745163
H -6.675187 1.734243 -0.622761
H -4.382605 0.943898 3.501556
H -4.155221 0.001898 -3.654571
H -6.214487 1.213105 -3.015615
H -2.835381 -2.814217 0.051291
H -1.291930 -2.876655 -0.797477
H -1.366565 -3.199223 0.947609
H 0.802041 -2.116720 -0.027798
H 0.947302 1.548897 0.667006
H 5.330237 -0.688057 -0.321870
H 3.066376 2.877035 0.663152


%chk=000230803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230803

0 1
O 4.422118 -2.915148 -0.789617
O 2.144213 -2.934410 -0.777889
O 5.898186 2.824321 1.283318
O 6.959149 0.929087 0.570916
N 0.824621 -0.838493 0.014170
N -0.336188 -0.122008 0.286853
N 3.297451 -2.331131 -0.567113
N 5.892750 1.609435 0.836348
C -3.907349 0.032852 -0.369665
C -2.713403 -0.004597 0.452401
C -5.096657 0.676255 0.159110
C -1.485845 -0.746215 0.051218
C -2.714658 0.643397 1.701867
C -3.961141 -0.483030 -1.708791
C -5.057500 1.289976 1.453896
C -6.289833 0.717782 -0.636281
C -3.879992 1.291404 2.203353
C 2.053780 -0.250047 0.208655
C -5.134507 -0.417483 -2.464714
C -6.316740 0.174160 -1.921019
C -1.567974 -2.174631 -0.467857
C 3.284287 -0.958511 -0.066215
C 2.154560 1.095771 0.694420
C 4.539764 -0.345495 0.140643
C 4.583561 0.968156 0.619015
C 3.392267 1.697923 0.897893
H -1.802787 0.615119 2.306217
H -3.059920 -0.905467 -2.162850
H -5.965331 1.767083 1.841400
H -7.181963 1.199777 -0.219126
H -3.848927 1.770206 3.187495
H -5.147563 -0.811654 -3.486637
H -7.231698 0.214104 -2.521409
H -2.608769 -2.521158 -0.524375
H -1.107981 -2.288835 -1.469787
H -1.026674 -2.860281 0.215328
H 0.853598 -1.813050 -0.349862
H 1.221690 1.626545 0.892762
H 5.458897 -0.896986 -0.072790
H 3.474208 2.723381 1.267319


