%chk=000048805.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048805

0 1
 O  -0.3469000      0.9525000       2.109100    
 O   0.8202000      -2.409400     -0.9546000    
 O   -1.989000       2.000600      0.1732000    
 O   -3.168000      0.1740000     -0.1849000    
 O    3.550300       1.220100     -0.2984000    
 N   -2.129600      0.8459000     -0.2523000    
 N    1.551100       1.132700      0.8334000    
 N    2.133900     -0.5463000     -0.6976000    
 C  -0.1579000     -0.5008000      0.1771000    
 C  -0.9622000      0.2198000     -0.9197000    
 C   -1.074900      -1.489100      0.9123000    
 C   0.3250000      0.5684000       1.152100    
 C   0.9620000      -1.266500     -0.5204000    
 C   -1.493000     -0.7651000      -1.951300    
 C  -0.1554000       1.340800      -1.556500    
 C  -0.3444000      -2.128900       2.060800    
 C    2.478900      0.6511000     -8.2400002E-02
 H   -1.433300      -2.297400      0.2676000    
 H   -1.950200      -1.022300       1.371100    
 H   -2.157600     -0.2516000      -2.660500    
 H  -0.6903000      -1.185100      -2.567100    
 H   -2.074900      -1.600500      -1.552900    
 H   0.1834000       2.142900     -0.8958000    
 H  -0.7808000       1.854900      -2.302300    
 H   0.6960000      0.9710000      -2.135200    
 H   0.5611000      -2.654400       1.742100    
 H  -6.5099999E-02  -1.421300       2.846200    
 H  -0.9911000      -2.876600       2.535000    
 H    1.836200       1.939100       1.382100    
 H    2.848500     -0.9775000      -1.277200    


%chk=000048805-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048805

0 1
O -0.549186 1.040362 2.042603
O 0.923376 -2.145992 -1.301718
O -1.996487 2.383508 -0.235843
O -3.204080 0.503318 0.169465
O 3.768846 1.122310 0.349122
N -2.177214 1.115414 -0.295487
N 1.550762 1.124575 1.093264
N 2.279181 -0.477211 -0.477789
C -0.172711 -0.459077 0.129206
C -1.063627 0.244231 -1.027372
C -0.950299 -1.587867 0.882663
C 0.239254 0.616072 1.163972
C 1.029670 -1.105845 -0.600843
C -1.817091 -0.777990 -1.900627
C -0.225490 1.207517 -1.890120
C -0.127830 -2.256812 2.005427
C 2.613816 0.634965 0.318626
H -1.235507 -2.351418 0.140417
H -1.870726 -1.149578 1.302397
H -2.306339 -0.249835 -2.737854
H -1.109749 -1.515531 -2.312259
H -2.594143 -1.304573 -1.327858
H 0.339601 1.937673 -1.290379
H -0.884232 1.776515 -2.565827
H 0.473961 0.625082 -2.514624
H 0.793108 -2.731247 1.618606
H 0.145983 -1.538820 2.798823
H -0.730760 -3.051498 2.478430
H 1.782897 1.886492 1.740002
H 3.057014 -0.893739 -1.001421


