%chk=000031520.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031520

0 1
 O  -0.9503000      -1.168800      0.5068000    
 O   -3.156100     -0.8922000     -0.4249000    
 O   0.8253000       1.053100       1.010700    
 O    1.666400      0.8397000      -1.146300    
 N    3.076100      0.7104000      0.6917000    
 C   -2.166800      -1.826000      7.3600002E-02
 C   -1.245200      0.1366000      0.2546000    
 C   -2.504500      0.2946000     -0.2772000    
 C   -2.764200      -2.569500       1.267400    
 C   -1.814400      -2.800600      -1.049600    
 C  -0.4144000       1.213300      0.4863000    
 C   -3.003000       1.537900     -0.6069000    
 C  -0.8949000       2.484000      0.1610000    
 C   -2.181800       2.645400     -0.3823000    
 C    1.855900      0.8636000      6.6200003E-02
 C    4.316300      0.4998000     -1.8100001E-02
 C    4.571200     -0.9259000     -0.2220000    
 C    4.784300      -2.095300     -0.3911000    
 H   -3.688500      -3.087800      0.9913000    
 H   -2.053800      -3.292600       1.681600    
 H   -3.015100      -1.866500       2.070200    
 H   -1.385800      -2.262600      -1.903000    
 H   -1.068900      -3.532400     -0.7218000    
 H   -2.703100      -3.327200      -1.412800    
 H   -3.995500       1.657900      -1.025800    
 H  -0.2748000       3.361400      0.3270000    
 H   -2.539000       3.641500     -0.6291000    
 H    3.099700      0.7353000       1.706700    
 H    4.272800       1.022800     -0.9790000    
 H    5.113100      0.9523000      0.5803000    
 H    4.972900      -3.132600     -0.5410000    


%chk=000031520-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031520

0 1
O -0.890304 -1.013439 0.420194
O -3.239835 -0.832009 -0.049618
O 0.929863 1.392690 0.639972
O 1.397671 0.227284 -1.384933
N 3.012471 0.573464 0.291590
C -2.092939 -1.822680 -0.025182
C -1.261685 0.331090 0.246925
C -2.645725 0.449695 -0.009546
C -2.381243 -2.880636 1.027092
C -1.841066 -2.323714 -1.445658
C -0.456517 1.471834 0.340118
C -3.279167 1.688295 -0.145158
C -1.067986 2.742402 0.203512
C -2.457874 2.844327 -0.028158
C 1.761738 0.663903 -0.271857
C 4.113230 -0.115935 -0.398522
C 4.741151 -1.167855 0.426487
C 5.293018 -2.028959 1.113942
H -3.277883 -3.457758 0.744458
H -1.524433 -3.570522 1.108556
H -2.553944 -2.405166 2.005540
H -1.609766 -1.476321 -2.112129
H -0.982583 -3.016347 -1.453214
H -2.734515 -2.848710 -1.824754
H -4.353206 1.759727 -0.332942
H -0.438929 3.634238 0.276056
H -2.911774 3.834819 -0.131685
H 3.149231 0.944016 1.232427
H 3.684370 -0.551853 -1.319656
H 4.888417 0.611841 -0.711008
H 5.764116 -2.788120 1.711651


