%chk=000052083.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052083

0 1
 O    3.040800      -2.408900     -0.9549000    
 O    3.510500       2.168900      0.3725000    
 O    4.611900     -0.1441000     -0.6798000    
 O   -1.003900     -0.3581000       2.058500    
 N   -1.757600      0.3344000     -7.0299998E-02
 C   0.6235000     -7.0400000E-02  0.4765000    
 C  -0.7729000     -4.3800000E-02  0.8819000    
 C   -3.099000     -0.2104000      2.6300000E-02
 C   -1.427700       1.274300      -1.153600    
 C    1.412000       1.071400      0.6181000    
 C    1.174700      -1.237300     -5.3199999E-02
 C    2.514300      -1.262400     -0.4410000    
 C    2.751600       1.046400      0.2300000    
 C    3.302800     -0.1205000     -0.2994000    
 C   -3.246900      -1.459300      0.5638000    
 C   -4.137200      0.5565000     -0.4264000    
 C   -1.698300       2.667000     -0.6901000    
 C   -4.536300      -1.983300      0.6563000    
 C   -5.426600      3.2699998E-02 -0.3336000    
 C   -5.626300      -1.237200      0.2078000    
 C    2.166800      -3.530500      -1.066000    
 C    4.203900       2.329700       1.608300    
 C   -2.038600       3.671500      -1.505700    
 C    5.458700      -1.086600     -2.6100000E-02
 H  -0.3743000       1.190100      -1.429500    
 H   -2.002700       1.013200      -2.050100    
 H   0.9887000       1.982800       1.033800    
 H   0.5114000      -2.092000     -0.1383000    
 H   -2.417100      -2.077400      0.8887000    
 H   -4.034100       1.547500     -0.8464000    
 H   -1.577400       2.892800      0.3670000    
 H   -4.691400      -2.975400       1.070300    
 H   -6.275900      0.6136000     -0.6815000    
 H   -6.630100      -1.645800      0.2786000    
 H    2.750900      -4.352200      -1.493600    
 H    1.816100      -3.867900     -8.4700003E-02
 H    1.342300      -3.333000      -1.759500    
 H    4.767900       3.265500       1.565200    
 H    3.495200       2.386300       2.440600    
 H    4.905900       1.505500       1.768300    
 H   -2.205100       4.668000      -1.112000    
 H   -2.156200       3.517200      -2.572600    
 H    6.454700     -0.6422000      5.8300000E-02
 H    5.107000      -1.329300      0.9828000    
 H    5.543800      -1.995100     -0.6288000    


%chk=000052083-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052083

0 1
O 3.100784 -1.798711 -1.239797
O 3.515778 2.048187 1.778794
O 4.733209 0.111180 -0.058461
O -1.286576 0.260604 2.225889
N -1.850716 0.141583 -0.059357
C 0.546023 0.196366 0.666809
C -0.923078 0.216602 1.012462
C -3.228672 -0.219731 0.177413
C -1.487943 0.707088 -1.391841
C 1.401662 1.100696 1.317517
C 1.083162 -0.801236 -0.189836
C 2.476591 -0.864489 -0.394345
C 2.802819 1.049618 1.110301
C 3.359893 0.065638 0.242283
C -3.555651 -1.174996 1.179260
C -4.268572 0.309531 -0.631518
C -1.716595 2.207764 -1.504701
C -4.890640 -1.586148 1.358101
C -5.603525 -0.114964 -0.446658
C -5.926243 -1.063761 0.546875
C 2.237045 -2.712472 -1.992248
C 4.931335 1.862108 2.143382
C -2.222978 2.829031 -2.597446
C 5.532954 -1.097897 0.238889
H -0.414694 0.513786 -1.555677
H -2.045308 0.165538 -2.176725
H 1.004638 1.838647 2.019344
H 0.413505 -1.529477 -0.656629
H -2.772014 -1.580367 1.822183
H -4.050781 1.073487 -1.381805
H -1.392369 2.799177 -0.635879
H -5.121936 -2.322199 2.136250
H -6.391276 0.309632 -1.079272
H -6.962401 -1.387808 0.691697
H 2.922980 -3.313299 -2.607177
H 1.663808 -3.375274 -1.315764
H 1.540120 -2.154285 -2.646696
H 5.139462 2.683267 2.847087
H 5.085872 0.889713 2.649184
H 5.583056 1.927617 1.258797
H -2.311011 3.919500 -2.645796
H -2.557424 2.267895 -3.480156
H 6.562822 -0.836366 -0.048504
H 5.489734 -1.332607 1.321072
H 5.172953 -1.955966 -0.350798


