%chk=000027186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027186

1 1
 O    3.436900      -1.172000      9.6400000E-02
 O    3.855900       1.156400     -0.3583000    
 O   0.8281000      -2.236400      0.5496000    
 N   -2.370100      0.4725000      0.3953000    
 C  -5.0099999E-02 -2.7999999E-03  0.2437000    
 C   0.1937000       1.373000     -2.4400000E-02
 C   -3.735100      2.0999999E-03  0.6170000    
 C   -1.367300     -0.4135000      0.4501000    
 C    1.018300     -0.9139000      0.2965000    
 C    2.293700     -0.4335000      8.2000002E-02
 C    2.532500      0.8942000     -0.1774000    
 C    1.509800       1.819400     -0.2371000    
 C  -0.8904000       2.256600     -7.0600003E-02
 C   -2.172500       1.772000      0.1453000    
 C   -4.348500     -0.4093000     -0.7150000    
 C    4.423200     -0.1578000     -0.1832000    
 C   -5.769000     -0.9177000     -0.5357000    
 C   0.6108000      -3.089100     -0.5742000    
 H   -3.705900     -0.8357000       1.323600    
 H   -4.308700      0.8059000       1.093400    
 H   -1.644400      -1.440100      0.6598000    
 H    1.725800       2.863400     -0.4438000    
 H  -0.7463000       3.314200     -0.2736000    
 H   -3.043600       2.415900      0.1151000    
 H   -3.741300      -1.192400      -1.184100    
 H   -4.353200      0.4412000      -1.406800    
 H    4.960100     -0.4332000      -1.098200    
 H    5.137400     -0.1241000      0.6476000    
 H   -5.792400      -1.792600      0.1219000    
 H   -6.192800      -1.207900      -1.502200    
 H   -6.410600     -0.1440000     -0.1020000    
 H    1.500500      -3.113000      -1.211400    
 H  -0.2563000      -2.759100      -1.154900    
 H   0.4191000      -4.100000     -0.2040000    


%chk=000027186-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027186

1 1
O 3.403077 -1.230143 -0.405214
O 3.805399 1.123937 -0.509863
O 0.507219 -2.336262 0.033051
N -2.501007 0.431265 0.417851
C -0.147134 -0.033214 0.079367
C 0.135443 1.396930 0.007592
C -3.912855 -0.058998 0.575742
C -1.475860 -0.458663 0.283047
C 0.911896 -1.020856 -0.050811
C 2.198765 -0.517219 -0.244697
C 2.448779 0.890759 -0.309806
C 1.464095 1.865145 -0.191138
C -0.980587 2.286336 0.150500
C -2.262934 1.801738 0.347637
C -4.667226 -0.113542 -0.771886
C 4.476972 -0.206510 -0.564194
C -6.113183 -0.615007 -0.570350
C 1.505428 -3.435401 -0.068169
H -3.871382 -1.060058 1.038386
H -4.425634 0.617311 1.282425
H -1.717415 -1.521343 0.341855
H 1.700579 2.929256 -0.247076
H -0.826094 3.367454 0.108163
H -3.132463 2.450171 0.464415
H -4.127165 -0.782879 -1.468434
H -4.678387 0.892373 -1.233646
H 4.949323 -0.328059 -1.551157
H 5.181051 -0.285332 0.278940
H -6.133848 -1.629900 -0.133128
H -6.641997 -0.657769 -1.537280
H -6.687524 0.055349 0.094690
H 2.238776 -3.362754 0.750889
H 2.014423 -3.402916 -1.044549
H 0.908771 -4.352502 0.027248


