%chk=000166506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166506

0 1
 O    3.056900       1.078200     -0.2643000    
 O   -3.939900       2.003700     -0.5905000    
 O   -2.432400     -0.7561000       1.210500    
 O   -1.471800       1.739800      -1.808900    
 O    5.204500      0.3920000     -0.4733000    
 O    5.857800      -2.009100      0.2940000    
 O   -4.597600      -2.457200      -1.674400    
 N  -0.5198000       1.669900      0.3066000    
 N   -5.148700      0.1760000       1.721000    
 N   -4.167400      -4.158600     -0.1901000    
 C   0.8360000       1.960300     -9.7999997E-02
 C    1.733700      0.7768000      0.2340000    
 C    1.359600       3.241700      0.5712000    
 C    1.220400     -0.5052000     -0.4052000    
 C   0.4867000       4.495600      0.3520000    
 C    2.214800      -1.588700     -0.1167000    
 C   -2.906700       1.307000      8.8600002E-02
 C   -1.570400       1.583400     -0.5935000    
 C    1.086800       5.680900       1.113800    
 C   0.3412000       4.855900      -1.127000    
 C    3.576200      -1.268500     -4.4300001E-02
 C   -3.250600     -0.1953000      0.1735000    
 C    4.027500      0.1252000     -0.2695000    
 C   -4.725400     -0.5309000      0.5098000    
 C    1.810300      -2.918700      4.0500000E-02
 C    4.523100      -2.268400      0.2004000    
 C   -4.919400      -2.050100      0.7000000    
 C    2.754900      -3.914500      0.2894000    
 C    4.108100      -3.589300      0.3716000    
 C   -4.548300      -2.875800     -0.5215000    
 H   0.8663000       2.115300      -1.183400    
 H    1.807800      0.6583000       1.324600    
 H    1.440400       3.068300       1.653200    
 H    2.376000       3.454700      0.2157000    
 H   0.2437000     -0.7895000     -9.4999997E-03
 H    1.138400     -0.3993000      -1.493900    
 H  -0.5145000       4.314900      0.7620000    
 H  -0.6968000       1.529100       1.296900    
 H   -2.859600       1.724200       1.103000    
 H   -2.964100     -0.6795000     -0.7663000    
 H    2.088500       5.925600      0.7445000    
 H    1.164200       5.457200       2.183100    
 H   0.4588000       6.571600       1.005100    
 H  -0.2003000       4.086400      -1.681600    
 H  -0.2190000       5.790000      -1.244200    
 H    1.320300       4.989900      -1.599300    
 H   -5.359400     -0.1973000     -0.3208000    
 H   0.7591000      -3.186600     -2.6900001E-02
 H   -5.976000      -2.262500      0.9102000    
 H   -4.349100      -2.403500       1.568500    
 H    2.435800      -4.944900      0.4170000    
 H    4.835600      -4.373000      0.5663000    
 H   -3.755800       2.955000     -0.5068000    
 H   -5.131300       1.181700       1.558000    
 H   -6.117600     -5.9300002E-02   1.933000    
 H   -1.508600     -0.5275000       1.023200    
 H    6.017700      -1.052600      0.2913000    
 H   -3.896600      -4.822400     -0.9080000    
 H   -4.145300      -4.492200      0.7683000    


%chk=000166506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166506

0 1
O 3.095242 1.100860 -0.033427
O -3.518370 0.661653 -2.141363
O -2.694491 0.348656 1.453754
O -0.994747 1.381672 -2.303664
O 5.323647 0.618330 0.000214
O 6.202578 -1.796672 -0.309194
O -3.158616 -2.022284 2.540629
N -0.633994 1.408150 0.016280
N -5.571863 0.605071 -0.208946
N -5.029558 -3.353309 2.342679
C 0.785043 1.809658 -0.021906
C 1.692978 0.556360 0.078842
C 1.081593 2.830543 1.101102
C 1.442449 -0.500644 -1.005223
C 0.313939 4.172943 0.971599
C 2.515715 -1.574393 -0.973413
C -2.912287 0.991548 -0.854840
C -1.409663 1.269023 -1.096684
C 0.576053 5.045468 2.222122
C 0.698466 4.939103 -0.317323
C 3.834363 -1.187253 -0.587185
C -3.193297 -0.142760 0.156462
C 4.137044 0.198250 -0.194935
C -4.718569 -0.535928 0.176012
C 2.267217 -2.905968 -1.348160
C 4.907056 -2.143185 -0.620121
C -5.182849 -0.997636 1.590980
C 3.326837 -3.852570 -1.346139
C 4.635748 -3.484389 -0.989900
C -4.383659 -2.151675 2.186183
H 0.968798 2.260479 -1.014249
H 1.618325 0.101700 1.089128
H 0.839020 2.363610 2.080413
H 2.169645 3.028619 1.103615
H 0.444933 -0.946292 -0.849197
H 1.414342 -0.003775 -1.995143
H -0.772689 3.949357 0.929104
H -1.118871 1.207380 0.913331
H -3.378626 1.909786 -0.443250
H -2.622580 -1.051943 -0.132515
H 1.652262 5.290347 2.310395
H 0.269887 4.525909 3.149659
H 0.017278 5.997978 2.166038
H 0.421203 4.386095 -1.232884
H 0.184559 5.917388 -0.354884
H 1.788902 5.127677 -0.349022
H -4.819071 -1.398326 -0.526217
H 1.257897 -3.210003 -1.644874
H -6.256005 -1.262231 1.536511
H -5.079208 -0.123630 2.259328
H 3.124109 -4.889830 -1.635270
H 5.461455 -4.201022 -1.001081
H -2.812905 0.878696 -2.824582
H -5.399113 0.890918 -1.181984
H -6.568679 0.463821 -0.014465
H -2.683802 -0.460706 2.069980
H 6.222930 -0.788628 -0.129685
H -4.517492 -4.136918 2.750016
H -6.001807 -3.482978 2.070252


