%chk=000060422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060422

0 1
 O  -0.7271000      -1.008800     -0.5834000    
 O   0.9752000       2.277900      0.3133000    
 O  -0.8935000      0.1363000       1.406700    
 N   -4.889800     -0.3926000      3.7599999E-02
 C   -4.357400     -0.3367000      -1.318400    
 C   -2.847700     -0.1216000      -1.286000    
 C   -4.993600      0.9522000      0.6069000    
 C   -6.197100      -1.051700      5.1600002E-02
 C   -2.136400      -1.260200     -0.5675000    
 C   -5.484800      0.9037000       2.043800    
 C   -6.113000      -2.450400     -0.5355000    
 C    1.221300     -0.1056000      0.3325000    
 C    3.442000      -1.082400      0.1501000    
 C    3.999500      0.2164000      7.7399999E-02
 C    1.769600       1.171600      0.2611000    
 C    2.050700      -1.226100      0.2776000    
 C  -0.2167000     -0.2948000      0.4653000    
 C    3.149600       1.332900      0.1346000    
 C    4.292000      -2.198900      9.3000002E-02
 C    5.390700      0.3603000     -4.9600001E-02
 C    5.671900      -2.037100     -3.4000002E-02
 C    6.220300     -0.7600000     -0.1050000    
 C    1.012900       3.155400     -0.8100000    
 C  -0.3387000       3.820300     -0.9619000    
 H   -4.498800      -1.260000      -1.885800    
 H   -4.838800      0.4546000      -1.907900    
 H   -2.577400      0.8419000     -0.8410000    
 H   -2.471900     -6.5499999E-02  -2.316200    
 H   -4.011000       1.435100      0.6269000    
 H   -5.657400       1.595800      1.5699999E-02
 H   -6.547900      -1.183700       1.080300    
 H   -6.956100     -0.4709000     -0.4873000    
 H   -2.299200      -2.203900      -1.099600    
 H   -2.490300      -1.407400      0.4588000    
 H   -5.333800       1.881600       2.514800    
 H   -4.931100      0.1680000       2.637200    
 H   -6.555000      0.6867000       2.114500    
 H   -6.992000      -3.027000     -0.2239000    
 H   -5.230800      -2.994500     -0.1806000    
 H   -6.124500      -2.452900      -1.629500    
 H    1.614900      -2.222400      0.3381000    
 H    3.572900       2.334700      8.8699996E-02
 H    3.885500      -3.206800      0.1468000    
 H    5.841400       1.349000     -0.1070000    
 H    6.318300      -2.908900     -7.7200003E-02
 H    7.294600     -0.6349000     -0.2037000    
 H    1.249800       2.607800      -1.730800    
 H    1.784200       3.914800     -0.6421000    
 H   -1.121400       3.070200      -1.116000    
 H  -0.6017000       4.372100     -5.3399999E-02
 H  -0.3415000       4.512300      -1.808700    


%chk=000060422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060422

0 1
O -0.806134 -1.256200 -0.488517
O 0.952657 2.490725 -0.262362
O -1.162626 0.826146 0.503282
N -5.120611 -0.742532 -0.088537
C -4.554550 -1.051601 -1.430594
C -3.028207 -0.826556 -1.532941
C -4.975415 0.697639 0.273649
C -6.524893 -1.222204 0.030251
C -2.274160 -1.514214 -0.385849
C -5.180859 0.973131 1.775678
C -6.646054 -2.755509 0.134344
C 1.117446 0.091715 -0.073696
C 3.325783 -1.031015 -0.038788
C 3.980616 0.258874 -0.084190
C 1.782515 1.378649 -0.148830
C 1.897777 -1.070907 -0.039490
C -0.370753 -0.017142 0.018689
C 3.182766 1.444873 -0.145743
C 4.120117 -2.223419 0.009754
C 5.414354 0.303387 -0.077333
C 5.514989 -2.150685 0.013936
C 6.164221 -0.874923 -0.029253
C 1.579497 3.826082 -0.347224
C 0.439553 4.831933 -0.477567
H -4.769082 -2.114794 -1.645243
H -5.057320 -0.454533 -2.236913
H -2.786462 0.250740 -1.522555
H -2.678815 -1.225839 -2.504212
H -3.947186 1.007323 0.019630
H -5.669536 1.337969 -0.330771
H -6.952428 -0.780945 0.947411
H -7.150907 -0.851888 -0.823989
H -2.357002 -2.612370 -0.438098
H -2.644350 -1.156939 0.588681
H -4.947203 2.030537 1.997528
H -4.502180 0.337152 2.370674
H -6.216738 0.783854 2.110967
H -7.698184 -3.042681 0.318234
H -6.028678 -3.127665 0.970832
H -6.321249 -3.269676 -0.788172
H 1.385343 -2.036963 -0.002071
H 3.694756 2.410044 -0.200877
H 3.614018 -3.195548 0.044309
H 5.917698 1.277146 -0.111273
H 6.117320 -3.064562 0.051210
H 7.258952 -0.827215 -0.024409
H 2.255827 3.861390 -1.226672
H 2.178086 4.007220 0.569093
H -0.146823 4.638942 -1.391722
H -0.238986 4.759583 0.388766
H 0.844000 5.859373 -0.527727


