%chk=000042630.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042630

0 1
 O    3.900200      0.9004000      0.2759000    
 O   -2.866100      0.3080000     -0.2946000    
 O   -1.804300      -1.344900      0.8981000    
 N    1.389200     -0.3842000     -0.1069000    
 N  -0.8196000     -0.3491000     -0.9478000    
 C    1.668700      0.9417000     -0.6756000    
 C    2.635600      -1.153200      1.3400000E-02
 C    2.699300       1.667700      0.1844000    
 C    3.642600     -0.3779000      0.8581000    
 C   0.4125000      -1.103200     -0.9222000    
 C   -1.828200     -0.5385000     -2.6100000E-02
 C   -3.989000      0.2176000      0.5893000    
 C   -5.040900       1.215400      0.1540000    
 H   0.7700000       1.567100     -0.7083000    
 H    2.053700      0.8440000      -1.699200    
 H    3.062000      -1.343600     -0.9802000    
 H    2.441100      -2.120300      0.4909000    
 H    2.954100       2.629900     -0.2714000    
 H    2.315900       1.869400       1.192200    
 H    3.290600     -0.2468000       1.888600    
 H    4.591700     -0.9220000      0.8992000    
 H   0.2087000      -2.092400     -0.4972000    
 H   0.7480000      -1.231600      -1.957800    
 H  -0.9524000      0.3472000      -1.674900    
 H   -4.402300     -0.7964000      0.5515000    
 H   -3.666900      0.4418000       1.612300    
 H   -5.915100       1.173200      0.8095000    
 H   -4.636400       2.232800      0.1689000    
 H   -5.359700       1.015200     -0.8743000    


%chk=000042630-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042630

0 1
O 3.993990 0.831616 0.460038
O -2.923603 0.316573 -0.288573
O -1.739887 -1.422549 0.783706
N 1.424004 -0.268898 -0.284323
N -0.892008 -0.295761 -1.102076
C 1.921764 0.985094 -0.898964
C 2.544037 -1.155167 0.119965
C 2.870688 1.701614 0.076767
C 3.475325 -0.399425 1.082560
C 0.406915 -0.963091 -1.102207
C -1.825481 -0.549184 -0.114953
C -4.043098 0.118276 0.673745
C -5.105702 1.157160 0.327999
H 1.062271 1.647636 -1.116520
H 2.463156 0.786194 -1.859958
H 3.142801 -1.503901 -0.759357
H 2.128950 -2.043951 0.631468
H 3.329802 2.587980 -0.391495
H 2.304851 2.006219 0.983215
H 2.920032 -0.145152 2.010440
H 4.365186 -1.000645 1.331798
H 0.266079 -1.970423 -0.673899
H 0.727247 -1.071180 -2.167746
H -1.108253 0.437309 -1.776979
H -4.417890 -0.916604 0.571046
H -3.651374 0.240825 1.699798
H -5.965679 1.055517 1.014877
H -4.702565 2.179850 0.424796
H -5.468556 1.021368 -0.705371


