%chk=000049736.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049736

0 1
 O   0.1892000      0.3454000     -0.3270000    
 O   -4.450900     -0.6853000     -0.5244000    
 O  -0.5858000       4.108300       1.016600    
 N  -0.6834000      -2.141600     -0.1471000    
 C   -1.054600      -2.257000       1.270200    
 C  -0.3254000      -3.450800     -0.7108000    
 C   9.1799997E-02  -2.844700       2.094600    
 C   0.8449000      -4.077400      4.8799999E-02
 C   0.5418000      -4.190900       1.538400    
 C   -1.771800      -1.535000     -0.9131000    
 C   -2.112600     -0.1635000     -0.4234000    
 C   -1.102700      0.7558000     -0.1373000    
 C   -3.448900      0.1970000     -0.2508000    
 C   -1.427800       2.028900      0.3190000    
 C   -3.774500       1.474100      0.2064000    
 C   -2.765400       2.394500      0.4928000    
 C  -0.3433000       2.977200      0.6147000    
 C    1.214000       1.235300     -5.5500001E-02
 C    1.051400       2.494200      0.3995000    
 C    2.535900      0.6482000     -0.3169000    
 C    2.138400       3.475700      0.7309000    
 C   -4.968800     -0.6852000      -1.852900    
 C    3.208400     -3.5900000E-02  0.6961000    
 C    3.118700      0.7745000      -1.578200    
 C    4.462900     -0.5929000      0.4483000    
 C    4.373200      0.2173000      -1.826100    
 C    5.045200     -0.4663000     -0.8128000    
 H   -1.945800      -2.888700       1.386600    
 H   -1.291300      -1.287000       1.719500    
 H  -2.6900001E-02  -3.333900      -1.759600    
 H   -1.184200      -4.134800     -0.6902000    
 H   0.9390000      -2.147300       2.095600    
 H  -0.2248000      -2.964500       3.136900    
 H    1.063700      -5.070000     -0.3609000    
 H    1.745000      -3.466000     -9.5200002E-02
 H    1.428200      -4.543200       2.077100    
 H  -0.2488000      -4.934800       1.695700    
 H   -2.641200      -2.203200     -0.8934000    
 H   -1.476800      -1.438100      -1.966600    
 H   -4.814100       1.759700      0.3432000    
 H   -3.039400       3.383800      0.8484000    
 H    2.071900       3.773400       1.782700    
 H    2.039700       4.372700      0.1104000    
 H    3.143700       3.077600      0.5691000    
 H   -5.455900      0.2705000      -2.070700    
 H   -4.176200     -0.8759000      -2.583200    
 H   -5.713500      -1.482200      -1.930000    
 H    2.766900     -0.1435000       1.683900    
 H    2.606800       1.304000      -2.378200    
 H    4.985900      -1.125800       1.236900    
 H    4.826800      0.3156000      -2.808100    
 H    6.021900     -0.9004000      -1.005900    


%chk=000049736-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049736

0 1
O 0.439676 0.576117 -0.651495
O -4.066583 -0.983607 -0.732331
O -0.640349 4.411199 0.522157
N -0.599246 -2.299493 0.002036
C -1.517971 -2.694922 1.101103
C 0.145763 -3.469271 -0.532376
C -0.741008 -3.351221 2.260072
C 0.974417 -4.149837 0.575942
C 0.070707 -4.567375 1.758238
C -1.305658 -1.572195 -1.095692
C -1.812479 -0.204187 -0.672596
C -0.911901 0.865060 -0.449754
C -3.191651 0.088733 -0.506912
C -1.315605 2.169521 -0.068579
C -3.638132 1.391195 -0.130934
C -2.703052 2.411517 0.086451
C -0.307616 3.225229 0.173122
C 1.434071 1.539816 -0.385008
C 1.113902 2.825559 0.023999
C 2.766446 0.915399 -0.562872
C 2.140878 3.873973 0.392215
C -5.506792 -0.742577 -0.598277
C 2.909568 -0.475397 -0.284688
C 3.897055 1.644931 -1.021301
C 4.160364 -1.106771 -0.436235
C 5.145057 1.004756 -1.176787
C 5.284885 -0.370358 -0.879053
H -2.301348 -3.407580 0.728361
H -2.042752 -1.790419 1.457502
H 0.810384 -3.115100 -1.343620
H -0.552081 -4.226484 -0.982154
H -0.053922 -2.601724 2.698685
H -1.452489 -3.656562 3.051515
H 1.500855 -5.028328 0.155238
H 1.743202 -3.437690 0.936656
H 0.677636 -4.996134 2.578118
H -0.627517 -5.362290 1.422413
H -2.158802 -2.165717 -1.496140
H -0.570548 -1.436786 -1.910947
H -4.703980 1.600328 -0.007731
H -3.011746 3.419280 0.382109
H 1.675100 4.580348 1.099687
H 2.448388 4.473250 -0.486289
H 3.045377 3.434118 0.844267
H -5.768783 -0.432546 0.431274
H -5.854910 0.021355 -1.319281
H -5.977588 -1.710045 -0.825585
H 2.032370 -1.040164 0.050789
H 3.797527 2.700452 -1.287533
H 4.259592 -2.174129 -0.207981
H 6.005599 1.578175 -1.538470
H 6.256190 -0.863500 -0.997327


