%chk=000058980.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058980

0 1
 O   -2.051900      -1.505000      -1.002700    
 O   -5.411700       1.188900      0.2288000    
 N   -3.204300     -0.5612000      0.7815000    
 C    2.962500     -0.1569000     -0.2865000    
 C    1.657400      0.1640000      0.4475000    
 C    4.199000      0.4549000      0.3759000    
 C   0.4307000     -0.5086000     -0.1716000    
 C    5.479100      4.2900000E-02 -0.3548000    
 C  -0.8301000     -0.2151000      0.6399000    
 C    6.719100      0.6203000      0.3274000    
 C   -2.072500     -0.8400000      2.9400000E-02
 C    7.990600      0.2412000     -0.4149000    
 C   -4.525100      -1.031700      0.4309000    
 C   -5.250300     -4.2599998E-02 -0.4631000    
 C   -6.092500       2.148900     -0.5676000    
 H    3.083100      -1.246500     -0.3342000    
 H    2.890200      0.1988000      -1.321800    
 H    1.751300     -0.1547000       1.493200    
 H    1.509700       1.251000      0.4602000    
 H    4.252400      0.1276000       1.421300    
 H    4.109000       1.547700      0.3826000    
 H   0.3023000     -0.1581000      -1.203000    
 H   0.5901000      -1.592700     -0.2235000    
 H    5.553300      -1.051100     -0.3818000    
 H    5.434400      0.3895000      -1.394400    
 H  -0.9898000      0.8680000      0.7040000    
 H  -0.7174000     -0.6010000       1.660100    
 H    6.780900      0.2548000       1.359000    
 H    6.643600       1.713000      0.3741000    
 H    8.864700      0.6637000      9.0400003E-02
 H    7.974500      0.6222000      -1.441100    
 H    8.112800     -0.8459000     -0.4536000    
 H   -3.114300      9.7000003E-03   1.617100    
 H   -4.441900      -2.003100     -6.7100003E-02
 H   -5.067900      -1.163200       1.372700    
 H   -4.679700      0.1279000      -1.383800    
 H   -6.235000     -0.4446000     -0.7275000    
 H   -5.523400       2.366400      -1.476500    
 H   -7.094300       1.792500     -0.8258000    
 H   -6.189000       3.070700      1.2200000E-02


%chk=000058980-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058980

0 1
O -2.084930 -2.371561 0.268316
O -5.324205 1.319783 -0.093656
N -3.262553 -0.417853 0.729757
C 2.875021 -0.241303 -0.112538
C 1.676152 -0.102197 0.852682
C 4.201308 0.286282 0.479867
C 0.357291 -0.642272 0.258523
C 5.398771 0.160073 -0.488783
C -0.843192 -0.474498 1.220114
C 6.724765 0.688465 0.104834
C -2.102194 -1.174206 0.696298
C 7.914728 0.566952 -0.871667
C -4.559008 -0.928530 0.270836
C -5.183016 0.015094 -0.759542
C -5.869831 2.346737 -0.977983
H 2.996393 -1.308360 -0.392584
H 2.652287 0.302843 -1.054299
H 1.900790 -0.644193 1.795497
H 1.552791 0.966291 1.129959
H 4.428700 -0.264590 1.416679
H 4.075574 1.351100 0.769114
H 0.139409 -0.123823 -0.697353
H 0.457439 -1.717311 0.017983
H 5.526695 -0.904012 -0.778668
H 5.173073 0.711307 -1.425854
H -1.035502 0.598689 1.417796
H -0.586699 -0.941775 2.192328
H 6.952397 0.133438 1.037982
H 6.593542 1.749871 0.399685
H 8.850238 0.947625 -0.421616
H 7.726906 1.141668 -1.798348
H 8.083436 -0.487740 -1.160842
H -3.238042 0.556084 1.037941
H -4.380788 -1.926809 -0.165829
H -5.253858 -1.039113 1.125980
H -4.527277 0.111948 -1.651991
H -6.178217 -0.363561 -1.080379
H -5.215600 2.514193 -1.860138
H -6.886380 2.075988 -1.334084
H -5.926813 3.271876 -0.383115


