%chk=000049698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049698

0 1
 O   -4.768400       3.317100     -2.8999999E-02
 O    2.235700     -0.8477000     -0.6282000    
 O   -3.588800      -2.895500      0.4813000    
 O    3.600500       1.957100       1.986500    
 N   -3.397000      0.9565000     -0.8340000    
 C   -3.607400       1.276900      0.5847000    
 C   -4.478300       1.532000      -1.645800    
 C   -3.312200     -0.4890000      -1.032400    
 C   -3.705500       2.789100      0.7653000    
 C   -4.554700       3.038200      -1.413200    
 C   -2.186200      -1.101500     -0.2668000    
 C  -0.9355000     -0.4839000     -0.2812000    
 C   -2.374100      -2.279300      0.4566000    
 C   0.1274000      -1.043700      0.4281000    
 C    1.445400     -0.3932000      0.4135000    
 C   -1.311300      -2.839200       1.165700    
 C  -6.0800001E-02  -2.221500       1.151500    
 C    1.810600      0.5368000       1.318900    
 C    4.017600      0.6233000      9.7900003E-02
 C    3.180900       1.114600       1.203100    
 C    3.497800     -0.3360000     -0.7649000    
 C   0.9712000       1.073200       2.442600    
 C    5.314500       1.109300     -8.8500001E-02
 C    4.270200     -0.8174000      -1.822400    
 C   -3.842300      -3.868900     -0.5299000    
 C    6.086100      0.6272000      -1.146700    
 C    5.564800     -0.3345000      -2.012600    
 H   -2.788600      0.9278000       1.221400    
 H   -4.534400      0.8104000      0.9443000    
 H   -5.440200       1.074100      -1.380500    
 H   -4.295300       1.345700      -2.710200    
 H   -3.139900     -0.7073000      -2.094700    
 H   -4.273500     -0.9485000     -0.7717000    
 H   -3.924000       3.026300       1.811400    
 H   -2.766100       3.290100      0.5008000    
 H   -3.644200       3.546800      -1.752900    
 H   -5.397000       3.459200      -1.971400    
 H  -0.7747000      0.4265000     -0.8550000    
 H   0.7578000      -2.670000       1.709100    
 H   -1.450600      -3.756100       1.732100    
 H   0.8458000       2.156100       2.338000    
 H    1.453800      0.8716000       3.404800    
 H  -2.9300001E-02  0.6337000       2.481900    
 H    5.738300       1.858300      0.5744000    
 H    3.871400      -1.566800      -2.500700    
 H   -4.868200      -4.227700     -0.4099000    
 H   -3.739100      -3.432400      -1.528200    
 H   -3.159900      -4.717700     -0.4201000    
 H    7.094700       1.001500      -1.296700    
 H    6.167800     -0.7077000      -2.835200    


%chk=000049698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049698

0 1
O -4.717413 3.414208 0.684308
O 2.499950 -1.140856 -0.258165
O -3.426542 -3.327440 0.206683
O 3.214360 2.877775 0.568177
N -3.617207 0.921580 -0.319011
C -3.791228 1.156416 1.139983
C -4.637426 1.677422 -1.089816
C -3.588186 -0.519137 -0.664806
C -3.704578 2.660417 1.442609
C -4.534958 3.175142 -0.756704
C -2.279203 -1.190583 -0.258822
C -1.070343 -0.459617 -0.264069
C -2.236530 -2.558026 0.123677
C 0.163809 -1.051036 0.110153
C 1.431377 -0.284559 0.096417
C -1.016449 -3.167301 0.497090
C 0.177326 -2.424732 0.485074
C 1.637553 1.055092 0.396855
C 4.087841 0.724106 -0.088609
C 2.994517 1.645627 0.306149
C 3.806230 -0.639654 -0.345646
C 0.543529 1.987589 0.870284
C 5.432431 1.167882 -0.204448
C 4.814019 -1.558613 -0.713195
C -3.884237 -3.900796 -1.072436
C 6.449706 0.270308 -0.567794
C 6.137486 -1.095007 -0.822466
H -2.996270 0.619282 1.689459
H -4.777750 0.765509 1.493978
H -5.674536 1.325320 -0.860139
H -4.455999 1.528769 -2.171713
H -3.709538 -0.590617 -1.765373
H -4.438177 -1.083169 -0.210081
H -3.918254 2.865597 2.504296
H -2.689841 3.036061 1.187064
H -3.542287 3.559576 -1.077017
H -5.333689 3.749276 -1.254604
H -1.127602 0.586335 -0.575442
H 1.122436 -2.895937 0.768854
H -1.027456 -4.217395 0.806280
H 0.045159 2.498891 0.024629
H 1.006266 2.778986 1.483641
H -0.228826 1.461869 1.455715
H 5.634215 2.223969 0.002020
H 4.547443 -2.601564 -0.907341
H -4.794316 -4.471771 -0.833739
H -4.122675 -3.109624 -1.810421
H -3.115726 -4.575635 -1.496915
H 7.484404 0.617014 -0.656090
H 6.931981 -1.793051 -1.107433


