%chk=000128216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128216

0 1
 O    5.300900      0.9792000      0.3009000    
 O    5.356500      -1.528600      -1.123100    
 O    3.789900       2.616400      -1.032800    
 O   -6.828500      -2.971700     -0.2579000    
 O   -8.368000     -0.7851000      0.4972000    
 O    9.477000      -2.562800      0.9926000    
 N    1.893100       1.345700     -0.6004000    
 N  -0.9714000       1.089200     -0.2705000    
 N   -2.916000     -0.2566000     -0.2651000    
 N   -3.037200       2.084000      0.2951000    
 N   -5.093700       3.078900      0.8588000    
 C    1.277700      8.6199999E-02 -0.1758000    
 C   0.9787000       2.429700     -0.9503000    
 C  -0.1616000     -6.5099999E-02 -0.6684000    
 C  -0.3031000       2.385100     -0.1213000    
 C    3.270400       1.556600     -0.6756000    
 C    4.145600      0.3883000     -0.2929000    
 C   -2.345200      0.9711000     -7.4600004E-02
 C    4.533500     -0.4252000      -1.512600    
 C    6.323200      7.4400000E-02  0.4284000    
 C    6.344500      -1.145500     -0.2532000    
 C   -4.242200     -0.3779000     -7.8100003E-02
 C   -5.032200      0.7189000      0.3034000    
 C   -4.362500       1.927400      0.4740000    
 C    7.376500      0.4206000       1.275100    
 C   -4.876800      -1.604600     -0.2586000    
 C    7.397800      -2.038200     -5.4699998E-02
 C   -6.417700      0.5801000      0.4961000    
 C   -6.254300      -1.750700     -6.8800002E-02
 C   -7.025800     -0.6574000      0.3088000    
 C    8.436000     -0.4673000       1.462300    
 C    8.444000      -1.697000      0.8028000    
 C   -7.299600      -3.269900      -1.570500    
 C   -8.809400      -1.128200       1.809700    
 H    1.305000      7.5400002E-02  0.9207000    
 H    1.860900     -0.7655000     -0.5343000    
 H   0.7494000       2.319300      -2.017300    
 H    1.475500       3.397200     -0.8217000    
 H  -0.1814000     -0.1544000      -1.761300    
 H  -0.5578000     -0.9979000     -0.2505000    
 H  -7.6399997E-02   2.550400      0.9388000    
 H  -0.9459000       3.205800     -0.4610000    
 H    3.682300     -0.2286000      0.4841000    
 H    3.653100     -0.8303000      -2.021500    
 H    5.085000      0.1767000      -2.247200    
 H    7.373700       1.372400       1.799200    
 H   -4.288300      -2.472100     -0.5535000    
 H    7.410800      -2.993200     -0.5739000    
 H   -7.043700       1.415200      0.7984000    
 H    9.248500     -0.1907000       2.129100    
 H   -4.546500       3.921300      0.9938000    
 H   -6.027100       3.203900      0.4879000    
 H    10.11090      -2.165800       1.614500    
 H   -6.472500      -3.255400      -2.287300    
 H   -8.072600      -2.556700      -1.873900    
 H   -7.734800      -4.272900      -1.558700    
 H   -8.399600      -2.096800       2.113100    
 H   -9.900500      -1.198700       1.796600    
 H   -8.516800     -0.3547000       2.526800    


%chk=000128216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128216

0 1
O 4.535882 0.397930 0.031402
O 6.295223 -0.657306 -2.054437
O 3.309273 2.269606 -2.582165
O -6.484306 -3.062708 0.426848
O -8.247883 -0.740320 0.502254
O 9.033396 -2.784320 1.275404
N 1.932842 1.415024 -0.923830
N -0.765454 1.256872 0.046435
N -2.627934 -0.154795 0.156138
N -2.887647 2.285174 0.059079
N -4.955386 3.339241 0.068437
C 1.568660 0.448535 0.139817
C 0.967389 2.521198 -1.186409
C 0.086059 0.047976 0.034292
C -0.103790 2.566437 -0.085762
C 3.090461 1.404278 -1.670443
C 4.120762 0.296615 -1.394510
C -2.141756 1.114190 0.090972
C 5.350616 0.456857 -2.298736
C 5.682563 -0.391014 0.330670
C 6.530153 -0.910012 -0.688080
C -4.007154 -0.273572 0.224018
C -4.888859 0.872495 0.217891
C -4.231715 2.167422 0.114332
C 5.970000 -0.656358 1.681469
C -4.587043 -1.578755 0.281362
C 7.636833 -1.710488 -0.350595
C -6.295554 0.681561 0.325502
C -5.971023 -1.749627 0.350669
C -6.841667 -0.601855 0.408041
C 7.086302 -1.446278 2.031251
C 7.908988 -1.978720 1.006705
C -7.373814 -3.451437 -0.694648
C -8.717570 -1.335222 1.777107
H 1.779028 0.888042 1.133887
H 2.194878 -0.451895 0.058028
H 0.499449 2.369275 -2.177615
H 1.524189 3.474586 -1.234496
H -0.098184 -0.534404 -0.890215
H -0.187424 -0.610781 0.878933
H 0.353337 2.872783 0.877797
H -0.878099 3.308279 -0.334211
H 3.682693 -0.712171 -1.558038
H 5.080740 0.393288 -3.361686
H 5.846640 1.423742 -2.101957
H 5.311717 -0.240912 2.450650
H -3.931208 -2.452579 0.256141
H 8.284161 -2.108495 -1.135585
H -7.000053 1.520101 0.368146
H 7.304572 -1.646202 3.087260
H -4.439827 4.213929 -0.003044
H -5.970062 3.350011 0.062449
H 9.148815 -2.905716 2.249990
H -6.799454 -3.468901 -1.639960
H -8.226619 -2.755098 -0.783760
H -7.723651 -4.465695 -0.450000
H -8.275127 -2.335783 1.931488
H -9.811812 -1.406597 1.682024
H -8.454245 -0.673533 2.624197


