%chk=000031516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031516

0 1
 O   0.5583000      0.4868000     -0.8192000    
 O    2.255300      -1.009000      1.3900000E-02
 O   -2.242200     -0.2158000     -0.9039000    
 O   -2.499400      0.6280000       1.247200    
 N   -3.771400       1.454500     -0.5081000    
 C    2.425300       1.362500      0.4377000    
 C    1.969700      0.2931000     -0.5543000    
 C    2.164200       2.759700     -0.1492000    
 C    1.646900       1.213400       1.755500    
 C    3.929000       1.204000      0.7174000    
 C    2.730100      0.4207000      -1.873600    
 C   4.0700000E-02 -0.7025000     -0.4034000    
 C    1.009400      -1.556300      7.1900003E-02
 C   -1.291300      -1.060000     -0.4337000    
 C   0.6998000      -2.815200      0.5434000    
 C   -1.632000      -2.329800      3.8199998E-02
 C  -0.6423000      -3.202500      0.5236000    
 C   -2.818600      0.6355000      6.1999999E-02
 C   -4.531400       2.432700      0.2347000    
 H    1.119300       2.897600     -0.4468000    
 H    2.384300       3.531700      0.5987000    
 H    2.800300       2.983700      -1.011000    
 H    1.965100       1.975800       2.477000    
 H    1.818600      0.2424000       2.231600    
 H   0.5685000       1.345600       1.617500    
 H    4.549800       1.441800     -0.1519000    
 H    4.241400       1.894600       1.510600    
 H    4.185100      0.1954000       1.058300    
 H    3.805300      0.2516000      -1.772700    
 H    2.380100     -0.3599000      -2.562500    
 H    2.542800       1.364400      -2.392600    
 H    1.465900      -3.484700      0.9173000    
 H   -2.669700      -2.654100      3.2699998E-02
 H  -0.9257000      -4.186700      0.8867000    
 H   -3.948500       1.364300      -1.503800    
 H   -5.591000       2.181900      0.1437000    
 H   -4.352700       3.414000     -0.2117000    
 H   -4.242500       2.446200       1.288300    


%chk=000031516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031516

0 1
O 0.399542 0.392958 -0.746472
O 2.241199 -1.030200 -0.120848
O -2.484922 -0.498126 -0.585343
O -1.973822 1.127307 1.081963
N -3.645236 1.447628 -0.546887
C 2.317082 1.398848 0.510538
C 1.912025 0.372872 -0.593338
C 1.891237 2.824419 0.064420
C 1.592827 1.050509 1.839769
C 3.854050 1.340750 0.724723
C 2.512564 0.543048 -1.984965
C -0.057517 -0.860763 -0.316608
C 1.014761 -1.709368 0.031497
C -1.380410 -1.308487 -0.214076
C 0.822246 -3.029063 0.450633
C -1.608919 -2.641421 0.209371
C -0.522915 -3.486509 0.528243
C -2.639268 0.763761 0.087561
C -4.093792 2.767560 -0.097822
H 0.807863 2.859654 -0.144512
H 2.108913 3.538810 0.878980
H 2.440801 3.163304 -0.832840
H 1.882815 1.786879 2.611565
H 1.881281 0.049056 2.204017
H 0.495620 1.088740 1.725368
H 4.412136 1.692072 -0.162634
H 4.128245 1.995711 1.571573
H 4.181940 0.313636 0.963308
H 3.611213 0.466968 -1.945393
H 2.130340 -0.251139 -2.647234
H 2.232741 1.519862 -2.411037
H 1.667135 -3.671816 0.709611
H -2.641858 -2.993208 0.285457
H -0.720922 -4.512981 0.852384
H -4.071800 1.002432 -1.359672
H -5.160864 2.752390 0.191359
H -3.945782 3.529693 -0.885077
H -3.494048 3.049615 0.781919


