%chk=000105010.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105010

0 1
 O   -3.843100      0.7502000      0.7654000    
 O   0.4518000       1.155700       1.555100    
 O    4.931400      -1.034800      0.3955000    
 N   -1.798500       1.505300     -3.5999998E-02
 N  -0.5415000       1.219000     -0.5397000    
 C   -2.054000       2.929100      8.6599998E-02
 C   -3.267300       3.302000     -0.7730000    
 C  -0.8211000       3.702300     -0.3930000    
 C   -2.340500       3.267900       1.554000    
 C   -2.719800      0.5315000      0.3157000    
 C   -2.334600     -0.8798000      0.1268000    
 C   0.5216000       1.061700      0.3324000    
 C   -1.703500      -1.552900       1.159200    
 C   -2.611900      -1.501500      -1.078800    
 C    1.827500      0.7445000     -0.2998000    
 C   -1.339000      -2.887400      0.9807000    
 C   -2.247500      -2.836000      -1.257400    
 C    2.763000     -1.0700000E-02  0.3787000    
 C   -1.611000      -3.529000     -0.2277000    
 C    2.060600       1.229400      -1.572200    
 C    3.981100     -0.2929000     -0.2393000    
 C  -0.6583000      -3.628000       2.081800    
 C   -2.537600      -3.521900      -2.549600    
 C    2.494500     -0.5288000       1.756100    
 C    3.278900      0.9472000      -2.190200    
 C    4.239200      0.1861000      -1.523700    
 C    5.879700     -0.3281000       1.192400    
 H   -4.198300       2.848800     -0.4198000    
 H   -3.124200       2.986800      -1.813300    
 H   -3.425200       4.386900     -0.7747000    
 H  -0.5540000       3.488000      -1.434900    
 H   5.7000000E-02   3.573500      0.2478000    
 H   -1.034200       4.779600     -0.3638000    
 H   -1.526900       2.934600       2.207700    
 H   -3.263800       2.813400       1.925600    
 H   -2.446100       4.350900       1.687500    
 H  -0.4981000       1.064100      -1.541500    
 H   -1.497400      -1.048700       2.099900    
 H   -3.105900     -0.9562000      -1.878800    
 H   -1.325600      -4.569200     -0.3660000    
 H    1.353400       1.850100      -2.112300    
 H   -1.379700      -4.254700       2.615400    
 H   0.1405000      -4.264300       1.685900    
 H  -0.1965000      -2.943200       2.801200    
 H   -2.722500      -4.590600      -2.396700    
 H   -3.432900      -3.107300      -3.025400    
 H   -1.691500      -3.406200      -3.234200    
 H    1.514100      -1.012600       1.817400    
 H    3.205700      -1.306500       2.054200    
 H    2.572500      0.2746000       2.495500    
 H    3.483100       1.325800      -3.187600    
 H    5.186300     -2.8999999E-02  -2.011000    
 H    5.379100      0.2600000       1.968000    
 H    6.492200      0.3260000      0.5639000    
 H    6.533000      -1.059400       1.676100    


%chk=000105010-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105010

0 1
O -3.430028 0.911929 1.453672
O 0.413278 1.236649 1.567778
O 4.803061 -1.406084 -0.198286
N -1.845270 1.645751 -0.111158
N -0.539498 1.364779 -0.563352
C -2.271735 3.115219 -0.027612
C -3.768129 3.210290 -0.423367
C -1.435743 3.925754 -1.046686
C -2.034983 3.659569 1.405526
C -2.488184 0.640575 0.652323
C -2.042656 -0.782593 0.426729
C 0.539193 1.168459 0.311744
C -1.876011 -1.612289 1.556978
C -1.895440 -1.326488 -0.875131
C 1.836017 0.868789 -0.396915
C -1.527169 -2.977932 1.406854
C -1.563356 -2.688480 -1.055294
C 2.690140 -0.166878 0.089729
C -1.373312 -3.495541 0.098056
C 2.207198 1.655141 -1.519789
C 3.922728 -0.363969 -0.594448
C -1.328103 -3.859554 2.627611
C -1.405512 -3.280667 -2.445817
C 2.304955 -1.060162 1.253112
C 3.429222 1.423229 -2.185032
C 4.290235 0.408359 -1.719405
C 5.674997 -1.064787 0.942085
H -4.400891 2.645407 0.277025
H -3.928781 2.822050 -1.445899
H -4.079715 4.270431 -0.402362
H -1.545293 3.528978 -2.073439
H -0.365069 3.945720 -0.780651
H -1.804643 4.966256 -1.046234
H -0.978803 3.540185 1.701313
H -2.660982 3.115521 2.129884
H -2.298920 4.733181 1.441113
H -0.419091 1.158208 -1.557083
H -2.021066 -1.181388 2.553825
H -2.072448 -0.692886 -1.753596
H -1.109634 -4.553792 -0.030490
H 1.554768 2.471057 -1.851842
H -1.106082 -4.902649 2.343846
H -0.492269 -3.493393 3.253244
H -2.230735 -3.866430 3.266574
H -2.000940 -4.205141 -2.560125
H -1.729874 -2.572108 -3.227609
H -0.350507 -3.545282 -2.650538
H 1.243999 -1.358546 1.194799
H 2.931043 -1.967069 1.257652
H 2.420875 -0.530125 2.215730
H 3.712095 2.033052 -3.049426
H 5.243390 0.193281 -2.213313
H 5.082471 -0.808686 1.841525
H 6.337391 -0.214526 0.686838
H 6.278016 -1.965073 1.135437


