%chk=000036471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036471

0 1
 O   -2.898800      0.9159000       1.908500    
 O    1.302300      -2.137800     -0.1517000    
 O    2.044000      -1.950100       2.019400    
 N   -2.061600      -1.496900     -0.7092000    
 C   -3.477400      0.5262000     -0.3680000    
 C   -2.580900     -0.2668000      -1.327900    
 C   -4.589600     -0.3468000      0.2145000    
 C   -4.040500      -1.662700      0.7603000    
 C   -3.156100      -2.369900     -0.2661000    
 C   -1.185500      -2.207800      -1.640700    
 C   -2.664000       1.159400      0.7272000    
 C  -0.5557000      -3.417100     -0.9570000    
 C   -1.560600       2.092600      0.3632000    
 C   0.2584000      -3.008000      0.2631000    
 C   -1.673800       2.831200     -0.7937000    
 C  -0.4683000       2.182900       1.197300    
 C  -0.6412000       3.705000      -1.134400    
 C   0.5641000       3.056700      0.8565000    
 C   0.4776000       3.817800     -0.3093000    
 C    2.126300      -1.679900      0.8313000    
 C    3.168600     -0.7836000      0.2703000    
 C    4.398100     -0.7187000      0.8935000    
 C    2.875700     -4.3800000E-02 -0.8570000    
 C    5.377400      0.1230000      0.3664000    
 C    3.855300      0.7979000      -1.384100    
 C    5.106100      0.8812000     -0.7724000    
 H   -3.983700       1.330300     -0.9148000    
 H   -1.739900      0.3377000      -1.680500    
 H   -3.167900     -0.5207000      -2.221800    
 H   -5.311500     -0.5743000     -0.5809000    
 H   -5.148200      0.1789000      0.9980000    
 H   -4.878100      -2.316800       1.030600    
 H   -3.471800      -1.494800       1.682000    
 H   -2.791600      -3.266700      0.2416000    
 H   -3.766800      -2.698800      -1.117200    
 H  -0.3911000      -1.539100      -1.995100    
 H   -1.737300      -2.540000      -2.529700    
 H   0.1265000      -3.875600      -1.685600    
 H   -1.278400      -4.197800     -0.7045000    
 H  -0.3623000      -2.521000       1.023400    
 H   0.7022000      -3.906900      0.7076000    
 H   -2.535200       2.786600      -1.450000    
 H  -0.3853000       1.591200       2.103800    
 H  -0.7098000       4.300800      -2.039900    
 H    1.436900       3.142400       1.497200    
 H    1.281900       4.497600     -0.5746000    
 H    4.622300      -1.306600       1.778500    
 H    1.905000     -7.8699999E-02  -1.342700    
 H    6.351600      0.1877000      0.8423000    
 H    3.642700       1.391800      -2.268400    
 H    5.868300       1.537400      -1.182300    


%chk=000036471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036471

0 1
O -2.955499 0.516354 2.055987
O 1.282447 -1.852028 -0.205778
O 2.058925 -1.265638 1.911861
N -2.372731 -1.640051 -0.791742
C -3.512030 0.526089 -0.331264
C -2.700378 -0.314864 -1.359032
C -4.800844 -0.236502 0.064088
C -4.501120 -1.690788 0.499964
C -3.607357 -2.419022 -0.524431
C -1.349954 -2.385758 -1.562649
C -2.640245 0.887203 0.887950
C -0.553436 -3.373980 -0.678372
C -1.386321 1.694441 0.671776
C 0.215673 -2.677985 0.443191
C -1.202343 2.549266 -0.449296
C -0.356388 1.604562 1.646711
C -0.015504 3.300653 -0.587691
C 0.836818 2.338465 1.497152
C 1.009909 3.191251 0.380768
C 2.144587 -1.179926 0.660218
C 3.164342 -0.368928 -0.070808
C 4.142890 0.314862 0.696111
C 3.175748 -0.264034 -1.485335
C 5.124349 1.097519 0.054257
C 4.158221 0.522158 -2.124258
C 5.133295 1.203744 -1.357604
H -3.794654 1.475055 -0.835395
H -1.758984 0.197866 -1.621064
H -3.313717 -0.400340 -2.295756
H -5.480322 -0.242368 -0.812822
H -5.316457 0.295697 0.883225
H -5.449335 -2.249573 0.620461
H -3.990638 -1.672928 1.477521
H -3.329356 -3.414518 -0.133503
H -4.177734 -2.584344 -1.478183
H -0.637769 -1.654147 -1.986904
H -1.799329 -2.942667 -2.422671
H 0.148713 -3.947292 -1.313767
H -1.238307 -4.109410 -0.212777
H -0.442653 -2.004237 1.018493
H 0.702416 -3.391294 1.131888
H -1.990878 2.648524 -1.203786
H -0.508503 0.944548 2.506681
H 0.112185 3.966667 -1.448218
H 1.632800 2.240837 2.242827
H 1.939161 3.759912 0.263240
H 4.116441 0.213609 1.786342
H 2.416998 -0.796580 -2.065352
H 5.881815 1.620264 0.648476
H 4.166568 0.603147 -3.216806
H 5.896884 1.811008 -1.856921


