%chk=000044343.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044343

0 1
 O    1.610300       1.820300      0.7390000    
 O    3.172000      -1.000000     -0.7246000    
 N    1.642000      0.4983000      0.2205000    
 N   -1.669600      -2.051800      8.8000000E-02
 C  -0.7806000      0.1873000      3.2200001E-02
 C   0.5143000     -0.3298000      0.1726000    
 C   -1.858300     -0.7220000     -6.0999999E-03
 C   -1.014200       1.569300     -6.8700001E-02
 C   0.7119000      -1.699700      0.2698000    
 C   -3.144500     -0.2077000     -0.1456000    
 C   -2.310800       2.056100     -0.2076000    
 C  -0.4040000      -2.510300      0.2224000    
 C   -3.377100       1.166200     -0.2460000    
 C    2.902300      9.8300003E-02 -0.2382000    
 C    4.006300       1.125600     -0.1076000    
 H  -0.2464000       2.327000     -0.1212000    
 H    1.667500      -2.173300      0.4532000    
 H   -3.996800     -0.8840000     -0.1793000    
 H   -2.487900       3.123200     -0.3019000    
 H  -0.3136000      -3.588000      0.3116000    
 H   -4.391700       1.537100     -0.3580000    
 H    3.753900       2.023800     -0.6778000    
 H    4.160800       1.379200      0.9448000    
 H    4.938900      0.7145000     -0.5054000    
 H    1.701200       1.631500       1.688900    


%chk=000044343-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044343

0 1
O 1.666147 1.672846 1.056644
O 3.096505 -0.835814 -1.104531
N 1.750852 0.414446 0.319601
N -1.749723 -2.084941 0.183902
C -0.745743 0.207249 0.058831
C 0.560158 -0.381837 0.256177
C -1.877070 -0.706218 0.048379
C -0.987311 1.604280 -0.159318
C 0.674176 -1.773626 0.374443
C -3.198176 -0.185936 -0.137544
C -2.287983 2.075421 -0.356512
C -0.504175 -2.576758 0.323293
C -3.403525 1.180175 -0.335019
C 2.962847 0.183561 -0.372918
C 4.046585 1.229068 -0.166860
H -0.144323 2.298420 -0.165831
H 1.651754 -2.244238 0.492375
H -4.022944 -0.904853 -0.131056
H -2.456211 3.143841 -0.531210
H -0.418758 -3.665867 0.413590
H -4.416556 1.569485 -0.483709
H 3.698979 2.231859 -0.467100
H 4.345768 1.295687 0.894269
H 4.915093 0.934912 -0.774282
H 1.629534 1.409938 2.019385


