%chk=000135773.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135773

0 1
 I    5.298400       1.826200      -1.669900    
 I    4.939700      -2.603400      -1.577600    
 I    1.279900       5.513600       1.008300    
 I   0.3841000      -5.484800       1.226300    
 I   -7.933900      -1.348100      -1.522300    
 O   0.1232000      9.0899996E-02   2.033600    
 O    3.100300     -0.2070000     -0.7341000    
 O   -1.835200      0.2753000       3.254200    
 O    3.902400       4.463200     -0.5543000    
 O    3.138800      -4.934200     -0.3635000    
 O   -5.968700      0.5493000      0.7631000    
 N   -4.775600      0.4223000      -1.262200    
 C   0.5275000      2.9700000E-02  0.6290000    
 C  -0.7916000      0.1230000     -6.7699999E-02
 C    1.430700       1.213600      0.3451000    
 C    1.226700      -1.295000      0.3957000    
 C   -1.808000      0.2241000      0.8652000    
 C    2.642300       1.023200     -0.3289000    
 C    2.451100      -1.329900     -0.2813000    
 C   -1.233200      0.2042000       2.201500    
 C   -1.086700      0.1196000      -1.421900    
 C    1.072100       2.522000      0.7153000    
 C   0.6626000      -2.512300      0.8167000    
 C   -3.140700      0.3251000      0.5113000    
 C    3.469700       2.109100     -0.6350000    
 C    3.091200      -2.546500     -0.5408000    
 C   -2.425700      0.2203000      -1.810800    
 C   -3.445800      0.3225000     -0.8501000    
 C    1.901100       3.604700      0.4161000    
 C    1.304800      -3.725800      0.5640000    
 C    3.098900       3.398200     -0.2609000    
 C    2.518300      -3.742800     -0.1166000    
 C   -5.923300      0.5315000     -0.4643000    
 C   -7.195600      0.6185000      -1.283300    
 H  -0.3032000      4.1000001E-02  -2.168200    
 H   0.1320000       2.688500       1.237000    
 H  -0.2906000      -2.503900       1.341100    
 H   -3.863900      0.4005000       1.308400    
 H   -2.666900      0.2185000      -2.871400    
 H   -4.917400      0.4099000      -2.269900    
 H    4.688600       4.136500      -1.024300    
 H    2.592900      -5.650200      4.4999998E-03
 H   -6.998200       1.094400      -2.249300    
 H   -7.908600       1.254700     -0.7485000    


%chk=000135773-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135773

0 1
I 5.803240 1.842988 -0.644133
I 5.484793 -2.687917 -0.333343
I 0.904732 5.553311 -0.389194
I 0.109835 -5.600473 0.311268
I -7.605876 0.462429 -3.084044
O 0.331109 0.110398 1.993169
O 3.492073 -0.235380 -0.052996
O -1.527466 0.329356 3.394909
O 3.914492 4.562078 -0.690174
O 3.352064 -5.019026 -0.078592
O -6.012619 0.583742 1.039226
N -4.941252 0.385805 -1.046353
C 0.596151 0.005280 0.462390
C -0.818353 0.079175 -0.105614
C 1.474889 1.181256 0.085531
C 1.296150 -1.320787 0.234478
C -1.764351 0.214838 0.927132
C 2.866752 1.017428 -0.102556
C 2.699211 -1.387196 0.046860
C -1.066347 0.232406 2.246398
C -1.241398 0.041425 -1.446606
C 0.938565 2.489128 -0.001095
C 0.574838 -2.535306 0.304629
C -3.147167 0.319621 0.690928
C 3.702674 2.127381 -0.359952
C 3.379922 -2.622590 -0.055380
C -2.620844 0.143953 -1.715215
C -3.575587 0.284183 -0.662711
C 1.752344 3.598766 -0.261098
C 1.233325 -3.766122 0.199447
C 3.155901 3.434086 -0.439659
C 2.647688 -3.832900 0.025060
C -6.043622 0.526096 -0.226587
C -7.430275 0.633402 -0.870700
H -0.524285 -0.061276 -2.266923
H -0.134505 2.632850 0.150156
H -0.507241 -2.503133 0.456461
H -3.859080 0.426500 1.511851
H -2.970193 0.118621 -2.754869
H -5.136973 0.352323 -2.054295
H 4.878911 4.325637 -0.789486
H 2.740870 -5.802043 0.004749
H -7.865607 1.613851 -0.624781
H -8.072988 -0.163962 -0.468983


