%chk=000126927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126927

0 1
 O   -1.236600      -2.864200     -0.3870000    
 O   -2.929700      -2.667100       1.126500    
 O   0.2509000     -0.2063000      -2.537000    
 O    1.245900      -1.602900       1.743900    
 O    2.935500      -2.887600      0.9407000    
 O    5.356900       2.293100       1.065900    
 O    5.632000       1.385600     -0.9953000    
 N   -4.074600     -0.8056000     -0.4904000    
 N   0.8693000     -0.2621000     -0.2974000    
 C   -1.989000      0.2509000      9.3500003E-02
 C   -3.206000       1.067000      0.5754000    
 C   -2.624100     -0.9832000     -0.5743000    
 C   -4.307800      0.6321000     -0.3821000    
 C   -1.082400      0.9798000     -0.9032000    
 C   -3.040200       2.547900      0.6590000    
 C   -2.310400      -2.244900      0.1613000    
 C   6.8000004E-02  0.1138000      -1.365500    
 C   -1.982400       3.042900       1.600100    
 C   -3.794100       3.387900     -6.5499999E-02
 C    2.041300      -1.094800     -0.4441000    
 C    3.312000     -0.2843000     -0.7269000    
 C    3.738400      0.6955000      0.3738000    
 C    2.137100      -1.972400      0.7870000    
 C    4.989800       1.479100      4.1499998E-02
 H   -1.410400     -3.6699999E-02  0.9804000    
 H   -3.476300      0.7081000       1.580900    
 H   -2.359800      -1.098500      -1.631100    
 H   -4.216200       1.063400      -1.385800    
 H   -5.313000      0.8362000      1.4000000E-03
 H   -4.428300      -1.242500      0.3623000    
 H   -1.650000       1.283700      -1.791600    
 H  -0.6389000       1.889000     -0.4901000    
 H   -2.296400       2.857400       2.633200    
 H   -1.018300       2.551200       1.459100    
 H   -1.816300       4.120700       1.495600    
 H   -4.577600       3.086200     -0.7477000    
 H   -3.645700       4.461000      2.0099999E-02
 H   0.6767000      0.1183000      0.6246000    
 H    1.857000      -1.769300      -1.289600    
 H   -1.010800      -3.693700      8.5400000E-02
 H    3.177000      0.2757000      -1.661600    
 H    4.140600     -0.9818000     -0.9074000    
 H    2.935700       1.418900      0.5545000    
 H    3.930100      0.1438000       1.300900    
 H    1.319900      -2.160600       2.547400    
 H    6.177900       2.789700      0.8617000    


%chk=000126927-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126927

0 1
O -3.267363 -2.877932 0.099125
O -4.773017 -2.186960 -1.526657
O 0.368250 -1.368512 -0.863949
O 2.728443 0.483832 2.870911
O 4.252989 -1.234196 2.518059
O 5.450603 2.337400 -1.755998
O 5.139975 0.212953 -2.641900
N -3.184075 0.142976 -2.100487
N 1.333374 0.037252 0.701101
C -2.257616 -0.111197 0.065261
C -3.471186 0.884158 0.185097
C -2.663692 -0.907699 -1.207288
C -3.769448 1.258769 -1.295514
C -0.907496 0.622896 -0.149317
C -3.289659 2.008397 1.197320
C -3.692931 -2.011358 -0.917834
C 0.294435 -0.321651 -0.142948
C -3.146361 1.544727 2.639727
C -3.280108 3.331694 0.883169
C 2.537789 -0.798739 0.803130
C 3.526430 -0.604350 -0.388813
C 4.059357 0.834393 -0.496999
C 3.265921 -0.582805 2.124933
C 4.912633 1.039678 -1.733542
H -2.190457 -0.782037 0.937951
H -4.319886 0.263964 0.550599
H -1.766890 -1.409645 -1.622573
H -3.287138 2.214577 -1.576415
H -4.859425 1.373208 -1.456109
H -3.782151 -0.207199 -2.855896
H -0.940563 1.122986 -1.136472
H -0.788683 1.413494 0.614839
H -4.026094 0.947222 2.949967
H -2.261528 0.891158 2.770346
H -3.048131 2.396542 3.333826
H -3.399135 3.698726 -0.141190
H -3.164132 4.095538 1.661334
H 1.239430 0.827617 1.341737
H 2.219885 -1.859963 0.768153
H -3.923094 -3.621932 0.193846
H 2.989510 -0.885568 -1.310038
H 4.361785 -1.315643 -0.265217
H 3.225092 1.561707 -0.540774
H 4.669564 1.119183 0.381931
H 3.242358 0.593808 3.715731
H 5.999139 2.448934 -2.579667


