%chk=000155378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155378

0 1
 O    2.090200       1.233700      -2.066400    
 O   -1.446700      -2.670000     -0.1029000    
 O   -2.688500       1.904200      0.4278000    
 O   -3.394400     -0.7492000      9.3800001E-02
 N    3.073900     -0.3475000      9.6199997E-02
 C    2.107000      0.7692000      0.2769000    
 C   0.6350000      0.3507000      0.2303000    
 C    2.609300      -1.593700      0.7169000    
 C    1.327500      -2.061400      3.5000000E-02
 C   0.2677000      -1.001000      0.1134000    
 C    2.380400       1.820200     -0.8162000    
 C  -0.3829000       1.311900      0.3580000    
 C   -1.085900      -1.362200      5.0999999E-02
 C    4.399200     -9.9999998E-03  0.6297000    
 C   -1.728700      0.9442000      0.3117000    
 C   -2.080100     -0.3916000      0.1487000    
 C   -2.243100       3.249100      0.5920000    
 C   -3.839900      -1.396700      -1.095900    
 H    2.264000       1.221800       1.266000    
 H    2.449200      -1.459500       1.795600    
 H    3.361700      -2.382800      0.5937000    
 H    1.010100      -2.974800      0.5511000    
 H    1.515900      -2.308100      -1.017000    
 H    3.418900       2.163200     -0.8178000    
 H    1.755500       2.710800     -0.6968000    
 H  -6.3199997E-02   2.337700      0.5041000    
 H    4.829600      0.8626000      0.1305000    
 H    5.102600     -0.8323000      0.4541000    
 H    4.369400      0.1888000       1.707100    
 H    2.260000       1.906600      -2.747500    
 H  -0.7188000      -3.175600     -0.4979000    
 H   -1.690700       3.380300       1.528800    
 H   -3.137400       3.877400      0.6620000    
 H   -1.679100       3.598100     -0.2798000    
 H   -4.868800      -1.077800      -1.287500    
 H   -3.843700      -2.480900     -0.9532000    
 H   -3.232000      -1.128500      -1.967100    


%chk=000155378-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155378

0 1
O 2.689938 0.964065 -2.199776
O -1.497664 -2.639674 -0.336141
O -2.771763 1.890913 0.543098
O -3.455456 -0.685025 0.125582
N 3.109543 -0.266757 0.123755
C 2.115684 0.850864 0.203138
C 0.661647 0.376029 0.195967
C 2.638423 -1.574912 0.634255
C 1.395170 -2.028895 -0.149031
C 0.308557 -0.970369 -0.038635
C 2.421624 1.782950 -1.028532
C -0.346271 1.347354 0.407894
C -1.070401 -1.315473 -0.099901
C 4.430028 0.113805 0.675933
C -1.712719 0.994158 0.356035
C -2.094128 -0.354933 0.088215
C -2.425121 3.281704 0.837111
C -4.027233 -1.255023 -1.112778
H 2.273255 1.453504 1.129645
H 2.396913 -1.534953 1.723863
H 3.461211 -2.301313 0.499009
H 1.066130 -2.998929 0.281646
H 1.679817 -2.211767 -1.204662
H 3.293090 2.434462 -0.793195
H 1.552455 2.424055 -1.249966
H -0.054723 2.383740 0.605651
H 4.788221 1.040461 0.196514
H 5.164164 -0.682704 0.462415
H 4.401511 0.280324 1.778532
H 3.076187 0.123543 -1.791502
H -0.718729 -3.234192 -0.469696
H -1.843118 3.363907 1.776229
H -3.390149 3.796303 0.954026
H -1.855227 3.743115 0.006337
H -5.094819 -1.403197 -0.889658
H -3.548208 -2.217697 -1.360395
H -3.914638 -0.542541 -1.952584


