%chk=000097627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097627

0 1
 O    1.687900     -0.1297000      -1.188700    
 O    1.775700       2.765600     -5.0000002E-04
 O    3.572100       1.378300       1.471300    
 O    4.751400      -1.193000      0.2545000    
 O    3.067100      -2.318600     -0.7904000    
 N  -0.4824000     -4.8900001E-02 -0.2144000    
 N   -1.667600      -1.771900      0.5635000    
 N   -2.281800       1.517300     -0.6747000    
 N   -4.456100      0.5622000     -0.1124000    
 N   -4.698000      -1.646100      0.7777000    
 C   0.6828000      0.7379000     -0.6231000    
 C    1.338100       1.509900      0.5188000    
 C    2.526200      0.6388000      0.8741000    
 C    2.914600      6.7400001E-02 -0.4747000    
 C   -1.792100      0.3410000     -0.2547000    
 C    3.552600      -1.278100     -0.3721000    
 C  -0.4607000      -1.325900      0.2841000    
 C   -2.509500     -0.7403000      0.2316000    
 C   -3.892200     -0.6001000      0.2958000    
 C   -3.628200       1.534300     -0.5656000    
 H   0.3433000       1.397000      -1.430700    
 H   0.6867000       1.712100       1.374400    
 H    2.221300     -0.1596000       1.561800    
 H    3.560100      0.7305000      -1.061600    
 H   0.9814000       3.275500     -0.2346000    
 H   0.4552000      -1.881800      0.4285000    
 H    3.212500       1.797900       2.271400    
 H    5.186500      -2.068700      0.3336000    
 H   -4.113700       2.450700     -0.8838000    
 H   -5.700400      -1.520300      0.8144000    
 H   -4.279500      -2.514500       1.082600    


%chk=000097627-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097627

0 1
O 1.820532 -0.055249 -1.267395
O 1.822576 2.826753 -0.063852
O 3.312829 1.536564 1.708525
O 4.873090 -1.353621 -0.101614
O 2.792494 -2.336127 0.235776
N -0.415244 -0.159738 -0.388230
N -1.636938 -2.015883 0.173971
N -2.205758 1.559601 -0.313746
N -4.384464 0.581672 0.281936
N -4.688981 -1.718919 0.730911
C 0.685918 0.734952 -0.796763
C 1.191293 1.585404 0.392773
C 2.360807 0.743455 0.975941
C 2.949215 0.065868 -0.315180
C -1.728872 0.283474 -0.203918
C 3.483952 -1.331541 -0.040634
C -0.414640 -1.549985 -0.148621
C -2.467407 -0.878560 0.141033
C -3.858589 -0.687324 0.388828
C -3.549953 1.610948 -0.054642
H 0.319716 1.367262 -1.624488
H 0.389588 1.784300 1.124485
H 1.974447 -0.021576 1.669240
H 3.735713 0.702892 -0.752289
H 1.136526 3.513182 -0.249457
H 0.497627 -2.139114 -0.220120
H 3.357539 2.421759 1.251034
H 5.209946 -2.259881 0.138324
H -4.017813 2.597593 -0.123717
H -5.674590 -1.526126 0.896826
H -4.317255 -2.663135 0.811164


