%chk=000114724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114724

0 1
 O   -2.275600       1.286900     -0.9873000    
 O   -6.182800     -0.4415000       1.734600    
 N   8.9500003E-02  -2.318900     -2.0199999E-02
 N    5.654700     -8.0899999E-02  0.1036000    
 N   -3.692600      0.1370000      0.4580000    
 C    1.261000      -1.461300     -0.3562000    
 C    1.063600      2.8899999E-02  5.4400001E-02
 C    2.564700      -2.100300      0.2514000    
 C   -1.354000     -0.3772000      0.4543000    
 C   -1.170800      -1.650300     -0.3755000    
 C    3.709600      -1.154500      0.1720000    
 C    2.248500      0.9150000      1.2200000E-02
 C    3.468500      0.2308000      6.8000004E-02
 C  -0.1337000      0.4909000      0.4552000    
 C    4.683700      0.8942000      2.9800000E-02
 C   0.1489000      -3.625400     -0.6839000    
 C   -2.471500      0.4405000     -0.1191000    
 C    5.073600      -1.327500      0.1927000    
 C    2.301500       2.310800     -8.4799998E-02
 C    4.754300       2.284800     -6.5499999E-02
 C    3.534700       2.977600     -0.1218000    
 C   -4.924300      0.8008000      9.7099997E-02
 C   -5.620600      7.7399999E-02  -1.063100    
 C   -5.842700      0.8760000       1.317200    
 C   -6.888100      0.7864000      -1.523300    
 H    1.380600      -1.443800      -1.451400    
 H    2.826800      -3.019400     -0.2845000    
 H    2.398500      -2.361000       1.304800    
 H   -1.577000     -0.6358000       1.497800    
 H   -2.021200      -2.313500     -0.1678000    
 H   -1.205300      -1.430800      -1.452500    
 H  -0.2475000       1.513500      0.8068000    
 H  -0.7413000      -4.219300     -0.4452000    
 H   0.9989000      -4.216800     -0.3314000    
 H   0.2137000      -3.531800      -1.773800    
 H    5.688300      -2.213600      0.2654000    
 H    1.390300       2.900300     -0.1438000    
 H    6.650300      9.1899998E-02  9.8300003E-02
 H    5.702500       2.809400     -9.6000001E-02
 H   -3.740000     -0.6420000       1.107300    
 H    3.547600       4.062600     -0.1996000    
 H   -4.677500       1.822400     -0.2172000    
 H   -4.928500      2.3000000E-02  -1.913300    
 H   -5.854000     -0.9613000     -0.7990000    
 H   -5.343600       1.378600       2.153600    
 H   -6.764500       1.426300       1.112100    
 H   -6.699800       1.845900      -1.723400    
 H   -7.690700      0.7048000     -0.7849000    
 H   -7.253200      0.3292000      -2.448900    
 H   -5.395300     -0.8378000       2.142600    


%chk=000114724-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114724

0 1
O -2.486180 1.648473 -0.669950
O -5.665744 1.129392 2.118545
N 0.141425 -2.186932 -0.574752
N 5.787944 -0.208228 0.469282
N -3.802573 -0.086238 0.138015
C 1.379307 -1.355778 -0.559967
C 1.131358 0.037202 0.063903
C 2.542408 -2.130765 0.158425
C -1.352989 -0.375397 0.206329
C -1.073424 -1.409394 -0.913936
C 3.761073 -1.246893 0.258385
C 2.345078 0.876801 0.228633
C 3.572159 0.175971 0.291606
C -0.113177 0.462637 0.417329
C 4.835214 0.820710 0.432185
C 0.265206 -3.384801 -1.434270
C -2.573981 0.495874 -0.146414
C 5.133871 -1.460224 0.361784
C 2.420319 2.287053 0.309294
C 4.908863 2.230225 0.519483
C 3.682389 2.936753 0.456160
C -5.091099 0.541395 -0.247591
C -6.174550 -0.555923 -0.363752
C -5.456211 1.658308 0.761790
C -7.508991 -0.040410 -0.942928
H 1.727628 -1.165080 -1.611818
H 2.769873 -3.062348 -0.389633
H 2.174137 -2.422149 1.162106
H -1.578934 -0.951655 1.130190
H -1.916973 -2.119299 -1.004205
H -0.979816 -0.867561 -1.888231
H -0.250317 1.459551 0.852082
H -0.679919 -3.955118 -1.401971
H 1.063694 -4.048883 -1.065366
H 0.485782 -3.137855 -2.503364
H 5.707691 -2.385401 0.373961
H 1.513296 2.896325 0.230158
H 6.793454 -0.083792 0.559071
H 5.857614 2.766906 0.627591
H -3.825465 -1.030823 0.529483
H 3.704930 4.031336 0.510190
H -4.941317 1.029080 -1.231965
H -5.783801 -1.366071 -1.011609
H -6.356428 -0.986299 0.641756
H -4.662344 2.429596 0.748692
H -6.414638 2.125900 0.485959
H -7.358031 0.451440 -1.922269
H -7.991423 0.685502 -0.265034
H -8.216812 -0.875526 -1.090124
H -4.791381 0.803614 2.452564


