%chk=000005077.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005077

0 1
 O   -1.693700     -0.5287000     -0.5662000    
 O   -1.749600     -1.6200000E-02   1.690800    
 N    3.080600       1.435100      0.4871000    
 N   -3.601100      0.4294000      0.3555000    
 C    3.117700      0.3215000     -0.4789000    
 C    1.956300     -0.6012000     -0.3257000    
 C    3.228000      0.9028000      -1.900400    
 C   0.6587000     -0.1272000     -0.5194000    
 C    2.167400      -1.938300      1.0600000E-02
 C    4.236300       2.303000      0.2924000    
 C    3.044000      0.9137000       1.848400    
 C  -0.3925000      -1.003400     -0.3714000    
 C    1.081300      -2.801500      0.1533000    
 C  -0.2162000      -2.327700     -4.0399998E-02
 C   -4.246500      0.4055000     -0.9531000    
 C   -2.302500     -3.5300002E-02  0.5915000    
 C   -4.390900      0.9803000       1.447500    
 C   -3.977000       1.688200      -1.721600    
 H    4.039700     -0.2572000     -0.3173000    
 H    3.071400      0.1131000      -2.645900    
 H    4.218600       1.321200      -2.106900    
 H    2.474400       1.675800      -2.092400    
 H   0.4731000      0.9106000     -0.7806000    
 H    3.171400      -2.324200      0.1659000    
 H    4.158200       2.897400     -0.6234000    
 H    5.184700       1.753000      0.2897000    
 H    4.293100       3.046000       1.097800    
 H    3.077800       1.737900       2.571400    
 H    3.889200      0.2496000       2.065200    
 H    2.112700      0.3817000       2.068900    
 H    1.245500      -3.842600      0.4153000    
 H   -1.061800      -2.999200      6.9799997E-02
 H   -3.872500     -0.4464000      -1.530200    
 H   -5.323500      0.2563000     -0.8184000    
 H   -4.676200       2.006800       1.201200    
 H   -3.831400      0.9851000       2.386300    
 H   -5.289500      0.3699000       1.575900    
 H   -4.367600       2.560400      -1.187500    
 H   -2.903000       1.841500      -1.869500    
 H   -4.455400       1.649300      -2.705100    


%chk=000005077-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005077

0 1
O -1.634633 -0.263737 -0.135822
O -2.860972 -1.480811 1.498746
N 3.132365 1.578241 0.013355
N -3.883368 0.093912 0.084033
C 3.260949 0.185299 -0.507875
C 2.041165 -0.657234 -0.113967
C 3.412016 0.157897 -2.050748
C 0.739779 -0.114295 -0.215714
C 2.193365 -2.006546 0.288491
C 4.143537 2.521757 -0.509297
C 3.104947 1.609804 1.494312
C -0.382688 -0.913989 0.078595
C 1.057782 -2.796213 0.576841
C -0.247012 -2.264447 0.474584
C -3.758038 1.115011 -0.983148
C -2.816421 -0.631005 0.572318
C -5.196291 -0.072059 0.728956
C -3.373340 2.509288 -0.442858
H 4.170087 -0.309510 -0.070703
H 3.355570 -0.884877 -2.407534
H 4.376956 0.578807 -2.382538
H 2.590645 0.726180 -2.523479
H 0.610590 0.933325 -0.505068
H 3.198601 -2.435680 0.380853
H 4.053619 2.628988 -1.602050
H 5.196973 2.223992 -0.270546
H 3.965559 3.515510 -0.060736
H 2.918751 2.643219 1.837013
H 4.063113 1.258340 1.955035
H 2.290374 0.970855 1.872493
H 1.183196 -3.837805 0.893047
H -1.123599 -2.864848 0.721254
H -3.004855 0.774518 -1.710835
H -4.734397 1.162521 -1.501970
H -5.547709 0.886199 1.156551
H -5.102655 -0.811784 1.537991
H -5.944745 -0.429606 -0.003204
H -4.105145 2.871136 0.302011
H -2.377896 2.473529 0.031605
H -3.336974 3.242121 -1.269789


