%chk=000056474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056474

0 1
 O    2.195600      0.7115000      0.4815000    
 O   -2.690500      -1.209000     -0.2094000    
 O   -1.109000     -0.4489000       3.031900    
 N  -0.3420000     -0.4528000      0.7750000    
 N   -3.389300      0.9228000     -0.8001000    
 C   0.6620000      -1.031200     -0.1224000    
 C   -1.179500      0.5920000      0.2593000    
 C    1.871900     -0.4147000     -0.2152000    
 C   -2.478700      5.2999998E-03 -0.2643000    
 C   0.3033000      -2.155700     -0.8029000    
 C  -0.3827000     -0.8859000       2.135600    
 C    2.546000       1.865000     -0.2796000    
 C    2.817400     -0.9771000      -1.072700    
 C    2.172100       3.108800      0.5121000    
 C    1.248900      -2.718000      -1.660500    
 C    2.505800      -2.128800      -1.795500    
 C   0.5422000      -2.033100       2.472300    
 C   -3.115900       2.353500     -0.8538000    
 C   -4.681700      0.5147000      -1.345600    
 C    2.503800       4.381600     -0.2459000    
 H   -1.408300       1.280300       1.079800    
 H  -0.6551000       1.123200     -0.5417000    
 H  -0.6642000      -2.630800     -0.6941000    
 H    2.018700       1.870000      -1.242400    
 H    3.625100       1.848300     -0.4704000    
 H    3.804100     -0.5352000      -1.181900    
 H    2.693800       3.101800       1.476600    
 H    1.101400       3.085700      0.7487000    
 H    1.007900      -3.617200      -2.220000    
 H    3.243000      -2.568400      -2.461000    
 H   0.4309000      -2.280600       3.533500    
 H   0.2806000      -2.925300       1.898500    
 H    1.587100      -1.758400       2.311300    
 H   -2.173700       2.659700     -0.4031000    
 H   -3.924800       2.878400     -0.3358000    
 H   -3.109600       2.661300      -1.904200    
 H   -4.733600      0.8170000      -2.395400    
 H   -4.811400     -0.5683000      -1.277800    
 H   -5.476400       1.007000     -0.7780000    
 H    3.575300       4.441900     -0.4614000    
 H    2.226600       5.259000      0.3467000    
 H    1.959000       4.426700      -1.194300    


%chk=000056474-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056474

0 1
O 1.889950 1.133849 0.079267
O -2.844969 -1.613457 -0.393154
O -1.503529 0.517979 2.366985
N -0.580552 -0.088833 0.327582
N -4.139054 0.277504 -0.804734
C 0.450611 -0.707037 -0.470778
C -1.705021 0.578424 -0.341466
C 1.721651 -0.071103 -0.617754
C -2.937898 -0.350782 -0.504182
C 0.196800 -1.918897 -1.150044
C -0.579941 -0.076157 1.728159
C 3.174944 1.847454 -0.062398
C 2.717915 -0.665163 -1.431436
C 3.078083 3.115393 0.789314
C 1.188817 -2.508077 -1.967210
C 2.445812 -1.879727 -2.101758
C 0.564616 -0.797137 2.423921
C -4.306310 1.740211 -0.871628
C -5.366887 -0.532490 -0.902474
C 4.376287 3.948961 0.717794
H -1.979859 1.452152 0.274910
H -1.372572 0.929331 -1.335691
H -0.792814 -2.370068 -1.015703
H 3.345654 2.096271 -1.130908
H 4.004432 1.196788 0.286317
H 3.696247 -0.190790 -1.551683
H 2.863439 2.827947 1.835316
H 2.216978 3.714782 0.440129
H 0.980897 -3.448830 -2.487215
H 3.222891 -2.329674 -2.730036
H 0.331915 -0.851961 3.497543
H 0.710096 -1.814718 2.022357
H 1.507299 -0.237754 2.286316
H -3.421908 2.228738 -1.310568
H -4.495497 2.180599 0.127813
H -5.168721 1.971421 -1.520858
H -5.845300 -0.398161 -1.891122
H -5.090993 -1.589278 -0.768653
H -6.088397 -0.243118 -0.114195
H 5.246011 3.376174 1.090991
H 4.287201 4.861004 1.333569
H 4.597777 4.264331 -0.319235


