%chk=000049548.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049548

0 1
 O   -2.371500     -0.5536000      0.6768000    
 O   -2.267400      0.2640000      -1.462000    
 N  -0.4653000      0.4679000     -3.8100000E-02
 N    2.082200     -0.8019000     -6.3699998E-02
 C   0.2349000      0.2911000       1.223200    
 C   0.5324000      0.9364000     -0.9807000    
 C    1.066400       1.580000       1.306300    
 C    1.262600       2.011100     -0.1629000    
 C    1.130600     -0.9579000       1.057200    
 C    1.448600     -0.2699000      -1.289100    
 C   -1.746300      7.5400002E-02 -0.3654000    
 C    2.801900      -2.042300     -0.3301000    
 C   -3.709100      -1.000200      0.4284000    
 H  -0.4499000      0.1738000       2.067900    
 H   7.9800002E-02   1.327800      -1.896600    
 H    2.015200       1.445100       1.835200    
 H   0.5018000       2.358600       1.833200    
 H   0.7863000       2.987300     -0.3139000    
 H    2.318200       2.113300     -0.4336000    
 H    1.690000      -1.123600       1.985500    
 H   0.4916000      -1.835300      0.8902000    
 H   0.8534000      -1.053700      -1.776500    
 H    2.229100      4.3400001E-02  -1.992600    
 H    2.131900      -2.845600     -0.6564000    
 H    3.333000      -2.379400      0.5669000    
 H    3.559600      -1.888700      -1.106300    
 H   -4.081300      -1.479300       1.337900    
 H   -3.718500      -1.733100     -0.3838000    
 H   -4.354100     -0.1491000      0.1904000    


%chk=000049548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049548

0 1
O -2.445613 -0.506000 0.732183
O -2.290400 0.133117 -1.534415
N -0.514159 0.454769 -0.037692
N 2.068544 -0.790262 -0.076246
C 0.222089 0.238338 1.233180
C 0.515277 0.914861 -1.001285
C 1.078455 1.537105 1.324818
C 1.275384 1.986809 -0.165017
C 1.111265 -1.018318 1.035383
C 1.418427 -0.305736 -1.320202
C -1.768794 0.038717 -0.388560
C 2.968965 -1.932296 -0.304194
C -3.841605 -0.900721 0.459281
H -0.476132 0.094082 2.070149
H 0.040548 1.299051 -1.917040
H 2.043648 1.336256 1.818280
H 0.537430 2.306623 1.902518
H 0.837402 2.984773 -0.340161
H 2.342195 2.014273 -0.441308
H 1.689747 -1.223206 1.956546
H 0.441520 -1.896571 0.850452
H 0.787657 -1.091189 -1.808689
H 2.210270 -0.015216 -2.036626
H 2.438547 -2.855671 -0.649492
H 3.504171 -2.177544 0.631236
H 3.720980 -1.666741 -1.069324
H -4.188132 -1.366055 1.393847
H -3.887687 -1.614780 -0.380345
H -4.453898 -0.016865 0.210124


