%chk=000042684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042684

0 1
 O    3.013800      -1.349900      3.6899999E-02
 O    3.196700       1.051100     -4.1900001E-02
 N   -2.941700       1.002900      0.3541000    
 C   -3.074700     -0.2826000     -0.3430000    
 C   -1.940900      -1.232800      7.5000003E-02
 C  -0.5822000     -0.5784000      1.5300000E-02
 C  -0.4754000      0.8351000     -9.6000005E-03
 C   -1.716900       1.691900     -6.7800000E-02
 C   0.5737000      -1.373700      4.3400001E-02
 C   -4.436400     -0.8914000     -1.5900001E-02
 C   0.7883000       1.444800     -4.1600000E-02
 C    1.797800     -0.7386000      2.0800000E-02
 C    1.902200      0.6312000     -2.2100000E-02
 C    3.895700     -0.2096000     -3.5999999E-03
 H   -3.034100     -0.1106000      -1.427100    
 H   -1.952900      -2.111500     -0.5818000    
 H   -2.098500      -1.583800       1.103400    
 H   -1.586500       2.569000      0.5768000    
 H   -1.843900       2.059900      -1.093300    
 H   -2.908300      0.8406000       1.360900    
 H   0.5087000      -2.456100      8.2000002E-02
 H   -4.549800      -1.077100       1.058200    
 H   -5.248200     -0.2264000     -0.3309000    
 H   -4.566600      -1.845800     -0.5374000    
 H   0.8889000       2.524500     -8.0799997E-02
 H    4.535800     -0.2292000      0.8859000    
 H    4.529000     -0.2871000     -0.8948000    


%chk=000042684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042684

0 1
O 3.106219 -1.352795 0.026598
O 3.291227 1.045618 -0.033915
N -2.990737 1.025408 0.328850
C -3.126560 -0.302383 -0.329897
C -1.963637 -1.256423 0.063361
C -0.593888 -0.577998 0.017106
C -0.481079 0.839383 -0.017185
C -1.741739 1.714995 -0.060925
C 0.579938 -1.392103 0.033691
C -4.500231 -0.910312 -0.005457
C 0.799005 1.468879 -0.041075
C 1.818298 -0.754080 0.013767
C 1.926777 0.650960 -0.023562
C 4.071041 -0.220854 -0.003030
H -3.066478 -0.111048 -1.421287
H -1.963157 -2.145278 -0.598661
H -2.153816 -1.635839 1.090913
H -1.609956 2.600155 0.588964
H -1.873573 2.103119 -1.092447
H -3.063969 0.928427 1.353595
H 0.506298 -2.483608 0.059564
H -4.612000 -1.066270 1.085769
H -5.306136 -0.234665 -0.338677
H -4.630032 -1.890566 -0.499665
H 0.892300 2.559204 -0.070274
H 4.680780 -0.244847 0.917016
H 4.678708 -0.290680 -0.922038


