%chk=000046137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046137

0 1
 O    1.785100      0.6287000      0.1248000    
 O   -5.905300      6.1700001E-02 -0.5005000    
 O   0.4589000      -1.216200     -0.1354000    
 N    5.380100     -0.1555000      0.3443000    
 N  -0.4331000      0.9448000     -1.3400000E-02
 C    6.473900      0.5713000       1.004100    
 C    5.761200     -0.5713000      -1.012900    
 C    7.733600     -0.2914000       1.095500    
 C    6.997600      -1.471100     -0.9875000    
 C    8.163800     -0.7917000     -0.2787000    
 C    4.169900      0.6650000      0.3070000    
 C    2.935500     -0.2064000      0.1385000    
 C   0.5729000     -1.9000000E-03 -2.1100000E-02
 C   -1.825700      0.7360000     -0.1359000    
 C   -2.715300       1.810200     -0.1090000    
 C   -4.567600      0.2830000     -0.3810000    
 C   -2.306900     -0.5648000     -0.2860000    
 C   -4.086200       1.583700     -0.2315000    
 C   -3.678000     -0.7912000     -0.4082000    
 C   -2.227600       3.213800      4.9199998E-02
 C   -6.404500      -1.180500     -7.1000000E-03
 C   -7.843600     -0.9871000      0.4456000    
 C   -8.438700      -2.269300      0.9993000    
 H    6.178900      0.8448000       2.024500    
 H    6.701600       1.502600      0.4687000    
 H    5.960200      0.3025000      -1.647700    
 H    4.957900      -1.141200      -1.490700    
 H    8.546300      0.2870000       1.549300    
 H    7.544700      -1.148900       1.753900    
 H    6.757100      -2.412000     -0.4763000    
 H    7.288800      -1.729500      -2.011900    
 H    9.002300      -1.489600     -0.1798000    
 H    8.516700      5.3599998E-02 -0.8822000    
 H    4.213900       1.438800     -0.4708000    
 H    4.046600       1.211300       1.252400    
 H    2.857600     -0.9158000      0.9715000    
 H    2.964800     -0.7654000     -0.8023000    
 H  -0.1248000       1.906700      9.3699999E-02
 H   -1.684700      -1.447500     -0.3235000    
 H   -4.789000       2.413000     -0.2117000    
 H   -4.009900      -1.815400     -0.5510000    
 H   -6.358200      -1.927500     -0.8080000    
 H   -5.824500      -1.533200      0.8559000    
 H   -1.696400       3.332000      0.9995000    
 H   -1.564100       3.486300     -0.7781000    
 H   -3.054000       3.933300      5.0299998E-02
 H   -8.448700     -0.6283000     -0.3957000    
 H   -7.887700     -0.1982000       1.206100    
 H   -9.473900      -2.102300       1.313100    
 H   -7.873500      -2.621800       1.868000    
 H   -8.436600      -3.061100      0.2434000    


%chk=000046137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046137

0 1
O 1.851061 0.632296 0.225595
O -6.011589 0.171385 0.152691
O 0.537884 -1.324817 0.298115
N 5.532822 -0.024554 0.192774
N -0.394130 0.857604 0.173498
C 6.667795 0.722142 0.792639
C 5.883054 -0.558450 -1.149276
C 7.907137 -0.184693 0.935603
C 7.098904 -1.503674 -1.072169
C 8.308483 -0.786514 -0.430733
C 4.263732 0.740150 0.192394
C 3.069080 -0.215869 0.307193
C 0.626804 -0.072495 0.238362
C -1.799710 0.616658 0.167598
C -2.666996 1.753081 0.080609
C -4.607131 0.237024 0.161402
C -2.345416 -0.686364 0.246859
C -4.058678 1.540182 0.079737
C -3.743644 -0.880102 0.243661
C -2.108537 3.163837 -0.010060
C -6.633235 -1.162080 0.232161
C -8.149371 -0.953424 0.208684
C -8.912542 -2.294671 0.268080
H 6.353622 1.092695 1.786186
H 6.941153 1.617541 0.171865
H 6.113266 0.280107 -1.860672
H 5.011405 -1.101420 -1.558182
H 8.742709 0.400215 1.366314
H 7.667185 -1.001653 1.643352
H 6.825061 -2.387331 -0.464142
H 7.350830 -1.860710 -2.089403
H 9.156339 -1.487235 -0.311359
H 8.653004 0.026497 -1.103645
H 4.143598 1.375078 -0.718903
H 4.254319 1.420207 1.063696
H 3.080964 -0.754044 1.270540
H 3.042414 -0.960706 -0.507706
H -0.080820 1.828559 0.129657
H -1.671094 -1.542947 0.310497
H -4.747331 2.388950 0.014945
H -4.134380 -1.899609 0.305989
H -6.304597 -1.780208 -0.630374
H -6.316236 -1.667867 1.168973
H -1.499014 3.428904 0.877486
H -1.473798 3.302824 -0.908366
H -2.924169 3.902162 -0.073162
H -8.417173 -0.400549 -0.711079
H -8.434068 -0.311586 1.063185
H -10.003612 -2.124955 0.252248
H -8.673506 -2.855226 1.191544
H -8.660449 -2.940346 -0.594200


