%chk=000134019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134019

0 1
 O    2.655400       1.310000     -8.8999998E-03
 O   -2.687800       1.231600      1.5300000E-02
 N    2.831100      -1.297100     -1.2900000E-02
 N   -2.785200      -1.383000      1.3000000E-02
 N  -0.7943000       4.898000      1.1000000E-03
 N    5.804600      -3.491000      1.6899999E-02
 N   -5.691100      -3.665600     -1.7999999E-02
 C   0.7019000     -3.6800001E-02 -2.6000000E-03
 C  -0.6954000     -5.8800001E-02  3.8000001E-03
 C    1.418600      -1.239200     -6.8999999E-03
 C   -1.375100      -1.282400      6.3000000E-03
 C    1.432500       1.248600     -4.9000001E-03
 C   -1.464000       1.203400      8.2999999E-03
 C   0.6619000       2.508100     -3.0000000E-03
 C  -0.7290000       2.480500      3.4000000E-03
 C   0.7370000      -2.456600     -4.6000001E-03
 C  -0.6565000      -2.478100      2.0000001E-03
 C    3.554600      -2.528700     -1.6500000E-02
 C   -3.471200      -2.635900      1.5400000E-02
 C    1.327000       3.733600     -7.4000000E-03
 C   -1.407700       3.692900      5.4000001E-03
 C    5.050600      -2.243600      1.2100000E-02
 C   -4.975200      -2.396000     -1.2000000E-02
 C   0.5572000       4.886500     -5.2000000E-03
 H    1.237900      -3.419700     -9.2000002E-03
 H   -1.127600      -3.456100      4.9999999E-03
 H    3.342200     -0.4233000     -2.2900000E-02
 H   -3.322400     -0.5250000      2.3499999E-02
 H    3.320000      -3.109500     -0.9176000    
 H    3.297800      -3.130200      0.8649000    
 H   -3.218300      -3.210500      0.9154000    
 H   -3.195200      -3.227000     -0.8671000    
 H    2.408800       3.808300     -1.2500000E-02
 H   -2.491700       3.747000      1.0500000E-02
 H    5.309700      -1.664400      0.9058000    
 H    5.341900      -1.644800     -0.8587000    
 H   -5.257100      -1.820200     -0.9008000    
 H   -5.287400      -1.811000      0.8606000    
 H    1.025900       5.865300     -8.5000005E-03
 H    6.801900      -3.283300     -1.4300000E-02
 H    5.596900      -4.021600     -0.8282000    
 H   -5.429600      -4.210800      0.8027000    
 H   -5.402700      -4.218400     -0.8245000    


%chk=000134019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134019

0 1
O 2.772949 1.246447 -0.052155
O -2.779434 1.133271 0.019736
N 2.865687 -1.324908 -0.052193
N -2.770300 -1.438306 0.008429
N -0.826829 4.856166 0.006547
N 6.046118 -3.322628 -0.065278
N -5.980859 -3.476574 0.040153
C 0.746920 -0.093442 -0.028811
C -0.701908 -0.122221 -0.011739
C 1.494260 -1.331904 -0.041383
C -1.398833 -1.388194 -0.009407
C 1.470681 1.176050 -0.034519
C -1.475961 1.120750 0.002871
C 0.683594 2.432235 -0.020464
C -0.739286 2.403865 -0.002079
C 0.764948 -2.575901 -0.043167
C -0.619511 -2.602079 -0.027448
C 3.713393 -2.521819 -0.063782
C -3.573717 -2.665179 0.012461
C 1.332577 3.693053 -0.024951
C -1.440059 3.642475 0.010769
C 5.202711 -2.121373 0.023007
C -5.090378 -2.315599 0.032397
C 0.549314 4.861421 -0.011233
H 1.318941 -3.518889 -0.057135
H -1.136043 -3.566430 -0.028517
H 3.272819 -0.358885 -0.061844
H -3.215608 -0.488772 0.020452
H 3.548480 -3.109176 -0.993389
H 3.484096 -3.190117 0.789281
H -3.338271 -3.289890 0.901289
H -3.359981 -3.281700 -0.887465
H 2.425114 3.730015 -0.038902
H -2.534018 3.635322 0.024820
H 5.383764 -1.637334 1.000327
H 5.414338 -1.354834 -0.760137
H -5.325123 -1.689402 -0.849344
H -5.303000 -1.694787 0.923520
H 1.015782 5.852603 -0.014189
H 6.948656 -3.259658 0.408980
H 6.118210 -3.734738 -0.998932
H -5.995672 -4.034444 0.894997
H -6.017660 -4.029288 -0.817371


