%chk=000100354.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100354

0 1
 O    2.340100       3.055700     -0.1906000    
 O   0.3010000       2.244300     -0.1413000    
 O    1.537200      -3.931500      0.2414000    
 O  -0.2488000      -2.657400      0.1633000    
 N  -0.1699000     -0.2194000      1.2100000E-02
 N   -3.032200      8.4200002E-02 -3.4000000E-03
 N    5.354500     -0.4916000      2.7100001E-02
 N    1.546000       2.085800     -0.1312000    
 N    4.470000       1.543500     -9.8999999E-02
 N   0.9950000      -2.804600      0.1717000    
 C  -0.9207000     -0.2181000      -1.243300    
 C  -0.9176000     -5.8899999E-02   1.259100    
 C   -2.353100     -0.7129000      -1.024800    
 C   -2.212100      0.7246000       1.024700    
 C    1.214700     -0.3660000      2.0199999E-02
 C   -4.417000      0.2293000     -1.0100000E-02
 C    2.071500      0.7697000     -5.0600000E-02
 C    1.823500      -1.647800      9.9699996E-02
 C    3.466700      0.6036000     -4.0399998E-02
 C    3.996500     -0.6813000      3.9099999E-02
 C    3.210100      -1.831600      0.1107000    
 C   -5.261000     -0.7846000     -0.5211000    
 C   -5.037700       1.396000      0.4946000    
 C    5.587400      0.8530000     -5.6000002E-02
 C   -6.648300     -0.6398000     -0.5271000    
 C   -6.425000       1.540900      0.4887000    
 C   -7.230300      0.5229000     -2.2200000E-02
 C    6.959400       1.392000     -9.1200002E-02
 H  -0.4349000     -0.8659000      -1.983700    
 H  -0.9443000      0.7889000      -1.674200    
 H  -0.3143000      0.4791000       2.000900    
 H   -1.156900      -1.033700       1.697700    
 H   -2.877100     -0.6338000      -1.985900    
 H   -2.371100      -1.767500     -0.7318000    
 H   -2.750700      0.7634000       1.980000    
 H   -2.001000       1.756900      0.7273000    
 H    3.683800      -2.805500      0.1710000    
 H   -4.842900      -1.709900     -0.9109000    
 H   -4.440600       2.215300      0.8888000    
 H    6.056400      -1.218600      7.1800001E-02
 H   -7.275800      -1.433300     -0.9221000    
 H   -6.878500       2.447200      0.8791000    
 H   -8.310500      0.6357000     -2.6799999E-02
 H    6.944100       2.484400     -0.1571000    
 H    7.508200       1.115400      0.8144000    
 H    7.504700       1.008400     -0.9592000    


%chk=000100354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100354

0 1
O 2.018491 2.224449 -2.185206
O 0.795458 2.577638 -0.288926
O 1.623132 -3.459415 2.114629
O 0.085632 -3.083548 0.473218
N -0.182465 -0.243681 0.061986
N -3.090110 0.087553 -0.013304
N 5.431064 -0.392983 0.379005
N 1.592904 1.864501 -1.024803
N 4.514273 1.306558 -0.837338
N 1.126539 -2.729012 1.161022
C -0.890034 0.372082 -1.088961
C -1.065722 -0.671500 1.172666
C -2.306101 -0.219903 -1.223145
C -2.322342 0.218394 1.237929
C 1.201343 -0.379744 0.116771
C -4.483732 0.252838 -0.051489
C 2.086284 0.593339 -0.465014
C 1.846254 -1.496762 0.792832
C 3.493000 0.463581 -0.369807
C 4.044888 -0.610903 0.409478
C 3.244052 -1.582805 1.002050
C -5.243369 -0.154096 -1.192666
C -5.187821 0.832229 1.049890
C 5.661392 0.764458 -0.373313
C -6.641720 0.019252 -1.224217
C -6.587917 0.988526 1.005527
C -7.331733 0.588239 -0.128663
C 7.029863 1.313970 -0.621633
H -0.315480 0.174272 -2.011677
H -0.976291 1.469659 -0.964666
H -0.507837 -0.599564 2.124457
H -1.377532 -1.726502 1.041907
H -2.781029 0.257991 -2.099973
H -2.247647 -1.311856 -1.421747
H -2.935359 -0.141169 2.085436
H -2.037711 1.271885 1.450113
H 3.632062 -2.437227 1.561687
H -4.749108 -0.634244 -2.043214
H -4.641920 1.191390 1.927955
H 6.143042 -0.972500 0.820606
H -7.197664 -0.307056 -2.111121
H -7.099404 1.441217 1.863207
H -8.418540 0.716274 -0.158149
H 6.938367 2.218162 -1.240635
H 7.538556 1.584655 0.322044
H 7.670494 0.587861 -1.155348


