%chk=000226287.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226287

0 1
 O   -3.747100      0.7941000      0.1535000    
 O    2.643800      0.5407000       1.089500    
 O  -0.2979000       3.647800     -0.2881000    
 N    1.513700      -1.263000      5.7999998E-02
 N   0.9073000       1.628800     -0.1287000    
 C   0.4770000      -3.395100     -0.8194000    
 C  -0.7857000      -3.075700     -4.8799999E-02
 C    1.659200      -2.717500     -0.1501000    
 C  -0.9513000      -1.582400      1.8100001E-02
 C   0.1675000     -0.7178000      5.4600000E-02
 C  -8.9199997E-02  0.6646000      6.6100001E-02
 C   -2.258900      -1.066500      7.1999997E-02
 C    2.642700     -0.4876000      0.4103000    
 C   -1.394600       1.168700      0.1005000    
 C   -2.479300      0.3044000      0.1157000    
 C    3.979300     -0.9991000     -8.4299996E-02
 C   0.7496000       3.009300     -0.2896000    
 C   -4.812000     -0.1561000      0.1460000    
 C    2.076100       3.702200     -0.4751000    
 H   0.6356000      -4.478600     -0.8537000    
 H   0.3880000      -3.046000      -1.856400    
 H  -0.7391000      -3.480100      0.9692000    
 H   -1.638100      -3.540200     -0.5581000    
 H    1.846300      -3.157700      0.8378000    
 H    2.548800      -2.917300     -0.7541000    
 H   -3.066800      -1.791600      6.9100000E-02
 H   -1.670700       2.208800      0.1522000    
 H    1.843400       1.301300     -0.3136000    
 H    4.270500      -1.891700      0.4753000    
 H    4.742500     -0.2295000      6.7299999E-02
 H    3.931000      -1.216100      -1.154800    
 H   -5.749200      0.4092000      0.1789000    
 H   -4.790600     -0.7915000       1.037800    
 H   -4.823700     -0.7402000     -0.7806000    
 H    2.717600       3.515200      0.3906000    
 H    1.920200       4.780100     -0.5736000    
 H    2.564900       3.330400      -1.380000    


%chk=000226287-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226287

0 1
O -3.826090 0.755153 0.197272
O 2.554189 0.301432 1.403634
O -0.165280 3.410124 -1.372685
N 1.512686 -1.197067 -0.063468
N 0.895489 1.725707 -0.112637
C 0.368475 -3.216216 -1.116405
C -0.509489 -3.043053 0.147285
C 1.673086 -2.401636 -0.954075
C -0.882057 -1.574986 0.205373
C 0.174559 -0.635026 0.069045
C -0.143409 0.762356 -0.020142
C -2.228411 -1.159605 0.249212
C 2.621661 -0.716343 0.628124
C -1.495735 1.169418 0.025141
C -2.529670 0.220952 0.160124
C 3.960788 -1.424837 0.441245
C 0.832052 2.979371 -0.718732
C -4.940702 -0.182521 0.338731
C 2.097989 3.817634 -0.541056
H 0.632946 -4.275794 -1.289518
H -0.204733 -2.868564 -1.994325
H 0.065652 -3.351901 1.043610
H -1.410397 -3.677933 0.093822
H 2.436715 -3.052406 -0.499014
H 2.050816 -2.074900 -1.942279
H -3.014358 -1.915018 0.338976
H -1.746568 2.226939 -0.065732
H 1.720826 1.487051 0.473356
H 3.962628 -2.426693 0.909978
H 4.722042 -0.810095 0.942962
H 4.236376 -1.546251 -0.621108
H -5.843857 0.444979 0.351285
H -4.870949 -0.754044 1.285196
H -4.987975 -0.885279 -0.516370
H 1.845481 4.734158 0.021012
H 2.460549 4.133635 -1.534267
H 2.905477 3.285555 -0.010072


