%chk=000031186.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031186

0 1
 O    4.851300       2.230600      9.9999997E-05
 O    5.097600      4.9199998E-02  7.9999998E-04
 O   -5.905400      0.2119000      7.9999998E-04
 O   -4.866500       2.145700      5.0000002E-04
 N    4.373100       1.072000      9.9999997E-05
 N   -4.851200      0.8915000      1.9999999E-04
 C   0.9778000     -0.3948000      9.9999997E-05
 C   0.1626000      0.7286000     -9.9999997E-05
 C   0.2078000      -1.549700       0.000000    
 C   -1.221100      0.2742000     -9.9999997E-05
 C   -1.192900      -1.150300     -1.9999999E-04
 C    2.370700     -0.3672000       0.000000    
 C   0.7446000       1.982500     -3.9999999E-04
 C   0.8388000      -2.779700      9.9999997E-05
 C    2.959300      0.9125000     -1.9999999E-04
 C   -2.417500      0.9656000     -3.0000001E-04
 C   -2.361000      -1.888400     -1.9999999E-04
 C    3.009400      -1.622600       0.000000    
 C    2.148400       2.068200     -3.9999999E-04
 C    2.245000      -2.809600      9.9999997E-05
 C   -3.599400      0.2190000     -3.9999999E-04
 C   -3.571500      -1.189200     -3.0000001E-04
 H   0.1440000       2.886100     -6.0000003E-04
 H   0.2749000      -3.706400       0.000000    
 H   -2.412600       2.050700     -3.0000001E-04
 H   -2.351000      -2.972700     -9.9999997E-05
 H    4.077000      -1.787700     -1.9999999E-04
 H    2.581800       3.066500     -6.0000003E-04
 H    2.754700      -3.770400      9.9999997E-05
 H   -4.488200      -1.775200     -3.0000001E-04


%chk=000031186-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031186

0 1
O 4.892306 2.373140 -0.000269
O 5.251041 0.128673 0.000093
O -6.024024 0.211759 -0.000094
O -4.922577 2.210212 -0.000210
N 4.462604 1.153946 -0.000127
N -4.941984 0.917495 -0.000076
C 0.997158 -0.415661 -0.000046
C 0.161425 0.750717 -0.000076
C 0.200821 -1.607735 -0.000015
C -1.237744 0.271127 -0.000067
C -1.213445 -1.174072 -0.000014
C 2.420352 -0.405116 -0.000054
C 0.765580 2.012295 -0.000118
C 0.842153 -2.849140 0.000005
C 2.995877 0.923387 -0.000105
C -2.451964 0.970870 -0.000088
C -2.415729 -1.906389 0.000016
C 3.056755 -1.698986 -0.000026
C 2.189535 2.078770 -0.000135
C 2.275379 -2.867237 0.000001
C -3.643303 0.204257 -0.000054
C -3.645439 -1.210631 -0.000004
H 0.183878 2.939021 -0.000143
H 0.285307 -3.791964 0.000029
H -2.516440 2.061810 -0.000123
H -2.410862 -3.000620 0.000048
H 4.144625 -1.765600 -0.000011
H 2.695120 3.048217 -0.000179
H 2.787719 -3.835295 0.000025
H -4.603624 -1.736349 0.000016


