%chk=000097721.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097721

0 1
 O  -0.1714000      -1.908100     -0.4944000    
 O    8.618600       2.033800      0.3379000    
 O   -8.860500      0.4590000       1.599800    
 O    8.864100     -0.2342000      0.3188000    
 O   -8.806400      6.8800002E-02 -0.6473000    
 N   0.3487000     -0.7623000     -0.2642000    
 N  -0.3011000      0.3288000     -9.5899999E-02
 C    1.798000     -0.6598000     -0.1664000    
 C    4.541600     -0.4657000      1.8600000E-02
 C   -1.696900      0.2857000     -0.1747000    
 C    2.406300      0.5235000     -0.5279000    
 C    2.512300      -1.749500      0.2843000    
 C   -4.481000      0.2032000     -0.3303000    
 C    3.794600      0.6216000     -0.4344000    
 C    3.900500      -1.651200      0.3780000    
 C   -2.452900      4.5299999E-02  0.9727000    
 C   -2.333100      0.4850000      -1.400000    
 C   -3.845000      4.0000002E-03  0.8948000    
 C   -3.725200      0.4437000      -1.477800    
 C    5.989200     -0.3631000      0.1165000    
 C   -5.932600      0.1594000     -0.4115000    
 C    6.688500      0.7920000      0.1751000    
 C   -6.778600      0.3175000      0.6306000    
 C    8.160700      0.7613000      0.2837000    
 C   -8.238200      0.2613000      0.4142000    
 H    1.847900       1.377500     -0.8991000    
 H    2.029000      -2.676900      0.5758000    
 H    4.252200       1.556000     -0.7463000    
 H    4.465900      -2.508300      0.7361000    
 H   -1.965400     -0.1148000       1.930900    
 H   -1.752400      0.6740000      -2.299200    
 H   -4.390800     -0.2059000       1.810000    
 H   -4.203300      0.6028000      -2.441300    
 H    6.523000      -1.310500      0.1551000    
 H   -6.340000     -4.1999999E-03  -1.407100    
 H    6.216200       1.767800      0.1672000    
 H   -6.438400      0.5090000       1.641900    
 H    9.596300       2.069800      0.4104000    
 H   -9.837200      0.4306000       1.511300    


%chk=000097721-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097721

0 1
O -0.056858 -1.624579 1.445229
O 8.917187 1.509848 -1.322921
O -9.284464 -0.654344 0.643226
O 9.057572 -0.225477 0.226209
O -8.895475 1.115788 -0.821622
N 0.389299 -0.667582 0.649613
N -0.330774 0.193625 -0.059595
C 1.845332 -0.522339 0.521064
C 4.659467 -0.302281 0.317490
C -1.738421 0.166865 -0.035025
C 2.407512 0.469208 -0.321144
C 2.662237 -1.403253 1.262705
C -4.585435 0.441920 -0.261392
C 3.802968 0.572041 -0.417642
C 4.059302 -1.285521 1.156104
C -2.614486 -0.713506 0.687244
C -2.317056 1.179855 -0.864931
C -4.003841 -0.565416 0.564735
C -3.705066 1.312414 -0.974096
C 6.123248 -0.236375 0.250714
C -6.029427 0.625502 -0.413011
C 6.876474 0.615823 -0.510686
C -7.023216 -0.102788 0.187239
C 8.349440 0.551685 -0.462592
C -8.438434 0.213421 -0.074155
H 1.743236 1.132801 -0.877665
H 2.190566 -2.153953 1.900763
H 4.232913 1.339280 -1.069300
H 4.702346 -1.964083 1.728168
H -2.190267 -1.488309 1.324483
H -1.638320 1.843368 -1.409280
H -4.651294 -1.248951 1.124347
H -4.129148 2.094029 -1.615026
H 6.677132 -0.949571 0.878716
H -6.355413 1.436350 -1.081210
H 6.446386 1.367413 -1.179052
H -6.830527 -0.933016 0.872825
H 9.908763 1.442983 -1.270338
H -10.230259 -0.415976 0.445706


