%chk=000097049.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097049

0 1
 O    1.614000     -0.5456000       1.214500    
 O  -0.9330000       1.015300      -1.456200    
 O   -2.385200      -1.633500      0.5045000    
 O   -4.430600      -1.677400     -0.4764000    
 N    1.354100       1.432600      2.9100001E-02
 N   -2.175800      0.9707000      0.5073000    
 N    5.348800      -1.233100     -0.6768000    
 C    3.339900      0.1277000     -0.3453000    
 C   7.6600000E-02   1.792500      0.5964000    
 C    2.022300      0.2734000      0.3954000    
 C    4.086800      -1.142800      4.6999998E-02
 C   -1.035700       1.206800     -0.2471000    
 C   -3.405900      0.4594000     -5.3500000E-02
 C   -3.476400      -1.045900     -3.9099999E-02
 H    3.126500      0.1254000      -1.421500    
 H    3.953200       1.010400     -0.1254000    
 H   2.0500001E-02   1.434200       1.629100    
 H  -8.0000004E-03   2.883100      0.5858000    
 H    3.475900      -2.026100     -0.1719000    
 H    4.289600      -1.145400       1.123700    
 H    1.759300       2.046400     -0.6718000    
 H   -2.160500       1.159400       1.505300    
 H   -3.498300      0.8024000      -1.088300    
 H   -4.226900      0.8540000      0.5513000    
 H    5.168400      -1.263400      -1.679500    
 H    5.810600      -2.111000     -0.4430000    
 H   -2.455400      -2.612000      0.5025000    


%chk=000097049-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097049

0 1
O 2.666421 -0.205546 1.755541
O -0.906889 0.613498 -1.514335
O -4.568642 -0.251280 1.550933
O -5.963026 0.185565 -0.261749
N 1.338886 0.272706 -0.076288
N -2.327257 0.132699 0.254423
N 6.154974 -0.138202 -0.803621
C 3.786034 0.429850 -0.347434
C 0.100343 0.062720 0.663362
C 2.569559 0.133522 0.531757
C 4.939774 -0.562689 -0.082278
C -1.077924 0.294261 -0.294596
C -3.528537 0.325440 -0.559672
C -4.815092 0.091169 0.210830
H 3.508612 0.431539 -1.420297
H 4.162170 1.442403 -0.105932
H 0.064789 -0.962751 1.083220
H 0.039044 0.752181 1.529569
H 4.595954 -1.594601 -0.333809
H 5.146371 -0.552707 1.001835
H 1.227671 0.535253 -1.062435
H -2.456058 -0.124207 1.235994
H -3.524422 -0.350290 -1.436984
H -3.561921 1.349363 -0.980564
H 6.088106 -0.207458 -1.823883
H 7.023027 -0.548251 -0.448560
H -5.427166 -0.396685 2.031076


