%chk=000098185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098185

0 1
 O    2.257000       2.002600       1.097100    
 O   -4.271800     -0.3185000      0.3669000    
 N   -1.550300      0.1870000     -0.2961000    
 C    1.333700     -0.9622000     -0.5672000    
 C    3.172600      0.3102000     -0.3955000    
 C   0.8207000      0.1705000      0.3626000    
 C    2.294700     -0.2389000      -1.518000    
 C    2.322600      -1.853000      0.2182000    
 C    3.568900     -0.9556000      0.3705000    
 C    2.101700      0.9848000      0.4404000    
 C  -0.3239000      0.9782000     -0.2214000    
 C   -1.939700     -0.2990000       1.034800    
 C   -2.643400      0.9733000     -0.8846000    
 C   -3.227500      -1.111300      0.9329000    
 C   -3.915300      0.1318000     -0.9406000    
 H   0.5439000      -1.537700      -1.054700    
 H    3.981600      0.9746000     -0.6960000    
 H   0.6339000     -0.1924000       1.377100    
 H    1.814900      0.5409000      -2.116900    
 H    2.833500     -0.9224000      -2.183300    
 H    2.576300      -2.749600     -0.3591000    
 H    1.924600      -2.173100       1.186300    
 H    3.791100     -0.7575000       1.424400    
 H    4.439800      -1.438700     -8.5600004E-02
 H  -6.1799999E-02   1.344200      -1.221300    
 H  -0.4814000       1.876200      0.3922000    
 H   -2.088000      0.5418000       1.724600    
 H   -1.197700     -0.9765000       1.464700    
 H   -2.381300       1.288600      -1.901000    
 H   -2.829500       1.874500     -0.2858000    
 H   -3.088700      -2.017600      0.3306000    
 H   -3.551900      -1.423700       1.930800    
 H   -4.745000      0.7354000      -1.322200    
 H   -3.799900     -0.7320000      -1.606500    


%chk=000098185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098185

0 1
O 2.350466 2.020521 1.211748
O -4.394570 -0.365762 0.221778
N -1.561633 0.206023 -0.129860
C 1.329514 -0.966520 -0.597547
C 3.209940 0.345986 -0.443176
C 0.902666 0.139900 0.411580
C 2.268032 -0.181625 -1.567797
C 2.350893 -1.903122 0.118414
C 3.635619 -1.001802 0.248163
C 2.192835 0.997944 0.501801
C -0.311223 0.996479 -0.032707
C -2.114309 -0.179413 1.195201
C -2.601880 0.904842 -0.931967
C -3.363432 -1.057039 1.012464
C -3.838463 0.005898 -1.089805
H 0.469715 -1.480491 -1.053291
H 4.045662 1.005446 -0.717614
H 0.692213 -0.279391 1.415095
H 1.761534 0.621014 -2.132191
H 2.793912 -0.839367 -2.282009
H 2.556027 -2.801725 -0.490546
H 1.978112 -2.245360 1.100599
H 3.952662 -0.848964 1.294335
H 4.491652 -1.433556 -0.300360
H -0.110707 1.423410 -1.034180
H -0.407720 1.858001 0.673055
H -2.381197 0.724106 1.799424
H -1.356268 -0.752374 1.760470
H -2.186861 1.138120 -1.931148
H -2.911229 1.867986 -0.453344
H -3.079077 -2.006040 0.507781
H -3.836763 -1.280261 1.982925
H -4.650559 0.533904 -1.616445
H -3.561164 -0.911869 -1.652547


