%chk=000054810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054810

0 1
 O   -2.412700      -2.993500       0.000000    
 O    3.494400       3.282000     -1.9999999E-04
 O    4.661600       1.422800      9.9999997E-05
 N    3.568500       2.032600     -1.9999999E-04
 C  -0.1097000     -9.1700003E-02   0.000000    
 C    1.118100     -0.8121000      9.9999997E-05
 C   -1.356900     -0.7716000      9.9999997E-05
 C  -7.0900001E-02   1.319500      9.9999997E-05
 C    2.355700     -0.1235000     -9.9999997E-05
 C    1.113300      -2.223600      1.9999999E-04
 C   -2.578000     -1.1700000E-02 -9.9999997E-05
 C   -2.509600       1.403600      9.9999997E-05
 C   -1.312100      -2.184600       0.000000    
 C   -1.266100       2.043800      1.9999999E-04
 C    2.360400       1.274100     -9.9999997E-05
 C    1.162300       1.985400       0.000000    
 C  -0.1089000      -2.895000       0.000000    
 C    3.555700     -0.8497000     -9.9999997E-05
 C    2.327800      -2.925800      9.9999997E-05
 C   -3.875200     -0.5855000     -3.9999999E-04
 C    3.540800      -2.242100      9.9999997E-05
 C   -3.684100       2.176300      3.0000001E-04
 C   -5.035000      0.1940000     -1.9999999E-04
 C   -4.939300       1.576300      1.9999999E-04
 H   -1.227900       3.133800      3.0000001E-04
 H    1.152400       3.074600       0.000000    
 H  -0.1154000      -3.984200     -9.9999997E-05
 H    4.574800     -0.5081000     -3.0000001E-04
 H    2.339700      -4.013800      1.9999999E-04
 H   -4.060600      -1.650300     -7.9999998E-04
 H    4.473500      -2.799600       0.000000    
 H   -3.630700       3.263600      5.0000002E-04
 H   -6.010500     -0.2839000     -3.9999999E-04
 H   -5.836500       2.187400      3.0000001E-04
 H   -2.156000      -3.930800     -9.9999997E-05


%chk=000054810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054810

0 1
O -2.530800 -2.989795 -0.000080
O 3.432257 3.469716 -0.000162
O 4.780918 1.647725 0.000138
N 3.604014 2.184764 0.000090
C -0.100704 -0.136316 0.000006
C 1.160788 -0.839390 -0.000010
C -1.375595 -0.814321 -0.000022
C -0.068392 1.316904 0.000054
C 2.443766 -0.149073 0.000021
C 1.144060 -2.281458 -0.000058
C -2.612156 -0.033924 -0.000009
C -2.528488 1.419316 0.000048
C -1.322880 -2.266338 -0.000062
C -1.260005 2.057402 0.000078
C 2.395324 1.315134 0.000058
C 1.192741 1.998697 0.000072
C -0.117388 -2.955832 -0.000081
C 3.634776 -0.921359 0.000000
C 2.364990 -3.015238 -0.000081
C -3.930183 -0.605256 -0.000051
C 3.588347 -2.336017 -0.000054
C -3.722487 2.216870 0.000068
C -5.076705 0.198184 -0.000035
C -4.982111 1.622317 0.000027
H -1.212191 3.152934 0.000119
H 1.213697 3.092247 0.000097
H -0.117865 -4.054457 -0.000112
H 4.596794 -0.412534 0.000035
H 2.332193 -4.110514 -0.000118
H -4.033640 -1.688160 -0.000096
H 4.528899 -2.896750 -0.000070
H -3.619789 3.308250 0.000113
H -6.063470 -0.278059 -0.000073
H -5.889451 2.235301 0.000043
H -2.346366 -3.962271 -0.000090


