%chk=000112443.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112443

0 1
 O    2.829500     -0.5366000      0.5009000    
 O    2.593900       1.273100     -0.9235000    
 N   -2.081200     -0.2342000      0.4719000    
 C   -1.298300      -1.353400     -7.5000003E-02
 C   -1.601100       1.130600      0.1846000    
 C   0.1991000      -1.196000      0.2813000    
 C  -0.1075000       1.245200     -4.6100002E-02
 C   0.7075000      0.1841000      1.1100000E-02
 C   -1.488200      -1.498900      -1.596800    
 C   -1.833800      -2.635200      0.5908000    
 C   -2.361300       1.729700      -1.013000    
 C   -1.951800       1.961400       1.434400    
 C    2.138900      0.3924000     -0.2087000    
 C    4.254400     -0.4623000      0.3881000    
 H   0.7793000      -1.934000     -0.2880000    
 H   0.3611000      -1.414900       1.345600    
 H   -2.158600     -0.3603000       1.481800    
 H   0.2880000       2.239200     -0.2438000    
 H   -2.551400      -1.523700      -1.862900    
 H   -1.018000     -0.6864000      -2.158100    
 H   -1.039700      -2.432300      -1.957700    
 H   -1.729800      -2.600800       1.681900    
 H   -2.895100      -2.790800      0.3629000    
 H   -1.287100      -3.518200      0.2395000    
 H   -2.127700       1.222100      -1.953300    
 H   -3.446000       1.667000     -0.8643000    
 H   -2.113500       2.789500      -1.149700    
 H   -3.027500       1.933300       1.648500    
 H   -1.424100       1.600100       2.326300    
 H   -1.677000       3.015300       1.302000    
 H    4.613600      0.5025000      0.7586000    
 H    4.560200     -0.6154000     -0.6513000    
 H    4.686000      -1.257200       1.002000    


%chk=000112443-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112443

0 1
O 2.910912 -0.718222 0.190172
O 2.695057 1.566030 -0.212353
N -2.139610 -0.234670 0.453096
C -1.299710 -1.385883 -0.008081
C -1.665264 1.158303 0.182739
C 0.186934 -1.217496 0.448427
C -0.155543 1.247427 0.030104
C 0.694507 0.186606 0.163485
C -1.360517 -1.521643 -1.551263
C -1.898762 -2.657060 0.635020
C -2.348446 1.730604 -1.097881
C -2.086402 2.042176 1.394193
C 2.154302 0.454348 0.020676
C 4.376141 -0.543868 0.071883
H 0.835704 -1.958185 -0.052041
H 0.264767 -1.429268 1.535158
H -2.367719 -0.349163 1.450711
H 0.268740 2.234148 -0.202593
H -2.411737 -1.511331 -1.887331
H -0.821178 -0.702236 -2.057581
H -0.895008 -2.473601 -1.866430
H -1.906031 -2.580380 1.740407
H -2.937255 -2.808959 0.291631
H -1.304053 -3.547899 0.364485
H -2.120193 1.113529 -1.981323
H -3.442622 1.729193 -0.952514
H -2.013078 2.765580 -1.298394
H -3.177946 1.953932 1.551201
H -1.564667 1.729842 2.317772
H -1.849801 3.104090 1.208542
H 4.740528 0.165500 0.834188
H 4.637346 -0.158382 -0.928234
H 4.793402 -1.548160 0.232128


