%chk=000042800.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042800

0 1
 O  -0.3048000      -2.822800     -4.6599999E-02
 O    5.002600      0.4065000       1.226600    
 N   -1.828700     -0.1268000     -0.6413000    
 C   0.7933000       1.003600      -1.249700    
 C   7.9999998E-02  4.6000000E-02  -2.228800    
 C  -0.8156000     -0.8870000      -1.392200    
 C  -0.2509000       1.796100     -0.4170000    
 C   -3.964200     -0.1362000      0.5753000    
 C   -1.268800      0.8693000      0.2794000    
 C   -2.827400     -0.9646000      1.3100000E-02
 C   -5.069200     -0.8429000       1.272600    
 C   -4.084900     -2.0400001E-02   2.051500    
 C    1.717900      0.1552000     -0.3901000    
 C   5.3199999E-02  -1.719500     -0.4504000    
 C   0.3799000       2.756100      0.5951000    
 C  -0.6960000      0.7733000      -3.331200    
 C    1.354800      -1.147700     -2.9000000E-03
 C    2.955400      0.6650000      2.8000001E-02
 C  -0.6736000       3.602900       1.279600    
 C    2.208500      -1.915100      0.7966000    
 C    3.806100     -0.1026000      0.8239000    
 C    3.432400      -1.388600       1.208400    
 H    1.402100       1.707900      -1.832300    
 H   0.8404000     -0.5626000      -2.741700    
 H   -1.304700      -1.583300      -2.086200    
 H  -0.8134000       2.420200      -1.125600    
 H   -4.256900      0.6941000     -5.6100000E-02
 H  -0.8161000      0.3874000       1.155400    
 H   -2.081300       1.500200      0.6509000    
 H   -3.262400      -1.647300     -0.7274000    
 H   -2.384100      -1.583700      0.8021000    
 H   -6.073200     -0.4520000       1.160600    
 H   -5.018600      -1.919700       1.376400    
 H   -3.380400     -0.5451000       2.684800    
 H   -4.425400      0.9250000       2.456400    
 H    1.085300       3.416900      7.7200003E-02
 H   0.9438000       2.216000       1.363300    
 H  -3.5399999E-02   1.450800      -3.882200    
 H   -1.101900      4.9899999E-02  -4.046700    
 H   -1.536400       1.358800      -2.948100    
 H    3.251200       1.669000     -0.2683000    
 H   -1.346700       4.075400      0.5571000    
 H   -1.269000       3.023800       1.991700    
 H  -0.1892000       4.401800       1.851600    
 H    1.941300      -2.922100       1.104900    
 H    4.092900      -1.988700       1.828700    
 H    5.098500       1.306700      0.8710000    


%chk=000042800-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042800

0 1
O -0.289320 -2.951474 -0.210582
O 5.057294 0.309378 1.329232
N -1.800895 -0.158886 -0.606214
C 0.797721 1.010901 -1.247264
C 0.053100 0.094881 -2.266519
C -0.800836 -0.896308 -1.440894
C -0.252808 1.804656 -0.392867
C -4.056373 -0.273993 0.481095
C -1.215424 0.835284 0.331601
C -2.826767 -1.041158 0.009739
C -5.055510 -0.985443 1.405219
C -4.202735 0.170791 1.948049
C 1.724695 0.152716 -0.389641
C 0.088082 -1.782216 -0.542523
C 0.404277 2.806845 0.588531
C -0.785863 0.858656 -3.311663
C 1.352620 -1.182456 -0.035798
C 2.965606 0.654327 0.062238
C -0.597351 3.769163 1.265667
C 2.219155 -1.966877 0.776284
C 3.815963 -0.144415 0.863638
C 3.443386 -1.461820 1.231935
H 1.408469 1.755038 -1.797652
H 0.819361 -0.499056 -2.806568
H -1.368152 -1.570488 -2.109397
H -0.854084 2.390533 -1.117996
H -4.479390 0.395271 -0.277673
H -0.680787 0.349890 1.187154
H -2.052865 1.405402 0.766059
H -3.125038 -1.777149 -0.760951
H -2.415361 -1.633860 0.863769
H -6.123970 -0.814827 1.246489
H -4.805892 -1.999473 1.734881
H -3.390397 -0.081086 2.638321
H -4.696732 1.124187 2.159087
H 1.150759 3.406440 0.026340
H 0.969268 2.254289 1.364873
H -0.201937 1.678618 -3.771364
H -1.100557 0.176270 -4.122983
H -1.699239 1.283287 -2.861539
H 3.272330 1.671014 -0.219241
H -1.197066 4.314495 0.512090
H -1.298986 3.232388 1.929696
H -0.068271 4.518886 1.882259
H 1.900272 -2.984000 1.026935
H 4.122970 -2.052619 1.852381
H 5.237677 1.233200 1.023166


