%chk=000172304.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172304

0 1
 O    6.788500     -0.3520000     -0.3960000    
 O   0.4297000      9.8999999E-02  0.1583000    
 O   -2.079500       2.213800      0.8854000    
 O   -1.665600      -2.524500      0.2446000    
 O  -0.2568000     -0.2521000       2.327400    
 O   -5.672700     -0.2744000      -1.009100    
 N    4.072000      0.4847000     -0.2460000    
 C    4.915000      0.8150000      -1.403500    
 C    4.523200     -0.7746000      0.3624000    
 C    2.666200      0.3983000     -0.6356000    
 C    6.377900      0.8871000     -0.9754000    
 C    5.995100     -0.6641000      0.7496000    
 C    1.785800      0.1588000      0.5806000    
 C  -0.4929000     -0.1121000       1.137300    
 C   -1.863600     -0.1550000      0.5685000    
 C   -2.587600       1.018100      0.4730000    
 C   -2.379300      -1.367000      0.1505000    
 C   -3.875700      0.9778000     -6.0500000E-02
 C   -3.667500      -1.407500     -0.3831000    
 C   -4.415700     -0.2350000     -0.4885000    
 C   -1.363000       2.980400     -7.9999998E-02
 C  -0.8516000      -2.875600     -0.8723000    
 C   -6.381900      0.9610000      -1.087800    
 H    4.801300      5.3500000E-02  -2.186100    
 H    4.620400       1.782700      -1.825400    
 H    3.986900      -1.006100       1.286100    
 H    4.388700      -1.609600     -0.3373000    
 H    2.495600     -0.3910000      -1.380000    
 H    2.347300       1.335400      -1.110500    
 H    6.550700       1.700600     -0.2602000    
 H    7.012700       1.073000      -1.847600    
 H    6.349200      -1.620600       1.147600    
 H    6.154900      9.6600004E-02   1.523600    
 H    2.004900     -0.7958000       1.066500    
 H    1.905900      0.9724000       1.306500    
 H   -4.408800       1.921400     -0.1156000    
 H   -4.090000      -2.352100     -0.7166000    
 H  -0.8488000       3.792500      0.4413000    
 H  -0.6185000       2.377300     -0.6071000    
 H   -2.061900       3.416000     -0.8010000    
 H   -1.482500      -3.223100      -1.696400    
 H  -0.2369000      -2.035900      -1.208000    
 H  -0.1909000      -3.693000     -0.5705000    
 H   -5.882800       1.669800      -1.757300    
 H   -6.563500       1.385000     -9.4300002E-02
 H   -7.361500      0.7437000      -1.525900    


%chk=000172304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000172304

0 1
O 7.076370 -0.539966 -0.320241
O 0.561693 0.556985 -0.103978
O -2.773686 2.687220 0.748939
O -1.051648 -1.788517 -0.296062
O -0.229283 0.811205 2.066979
O -5.639880 -0.608899 -1.280565
N 4.284599 0.274095 -0.375288
C 5.185906 0.519131 -1.532106
C 4.721767 -0.940114 0.364232
C 2.854970 0.236225 -0.764364
C 6.635854 0.664725 -1.043226
C 6.180520 -0.781451 0.823201
C 1.952756 0.576900 0.427873
C -0.458839 0.614341 0.847592
C -1.805151 0.417864 0.226138
C -2.854973 1.374560 0.272629
C -2.106069 -0.866728 -0.340425
C -4.151744 1.068300 -0.220215
C -3.381137 -1.182649 -0.835361
C -4.402973 -0.201431 -0.765591
C -1.485064 3.349758 0.996513
C -1.302440 -3.135591 -0.813305
C -6.747095 0.349799 -1.216044
H 5.135821 -0.313963 -2.277896
H 4.874396 1.452075 -2.038769
H 4.079275 -1.085380 1.252044
H 4.635274 -1.854409 -0.276345
H 2.548738 -0.750859 -1.187364
H 2.686824 0.993013 -1.552275
H 6.715166 1.551078 -0.377318
H 7.333133 0.772185 -1.890528
H 6.550400 -1.705397 1.297538
H 6.253511 0.063523 1.541369
H 2.025265 -0.152099 1.254274
H 2.182369 1.580828 0.826603
H -4.905140 1.856595 -0.172037
H -3.626910 -2.159640 -1.254845
H -1.725596 4.423762 1.014783
H -1.057076 3.032623 1.961519
H -0.767636 3.142774 0.179523
H -2.114470 -3.636267 -0.251538
H -1.555274 -3.110349 -1.890602
H -0.357325 -3.677972 -0.664793
H -6.526191 1.256940 -1.810877
H -6.967219 0.636319 -0.169807
H -7.609387 -0.178341 -1.648384


