%chk=000099505.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099505

0 1
 O   -2.682800      0.9304000       1.455400    
 O   -4.261300      0.2630000     -3.9600000E-02
 N   -2.931800      -2.163600     -0.1922000    
 C   -1.265200     -0.5613000      -1.040500    
 C  -0.1211000      0.3190000     -0.6427000    
 C    1.125400     -0.2053000     -0.2635000    
 C   -2.158500     -0.9674000      0.1470000    
 C    2.166600      0.6806000      0.1027000    
 C  -0.3379000       1.697100     -0.6609000    
 C    1.361400      -1.589400     -0.2396000    
 C    1.930500       2.064900      7.8800000E-02
 C   0.6859000       2.568200     -0.3007000    
 C    3.413100      0.1564000      0.4820000    
 C   -3.160300      0.1220000      0.4740000    
 C    2.606000      -2.092800      0.1399000    
 C    3.629900      -1.221700      0.4999000    
 H   -1.873100     -3.5200000E-02  -1.792100    
 H  -0.9036000      -1.440300      -1.586900    
 H   -1.566300      -1.201700       1.038700    
 H   -1.298900       2.109800     -0.9565000    
 H   0.5992000      -2.320100     -0.4911000    
 H    2.716200       2.764600      0.3562000    
 H   0.5168000       3.641000     -0.3155000    
 H    4.227600      0.8187000      0.7677000    
 H    2.774900      -3.165600      0.1585000    
 H   -3.517800      -1.983200      -1.006300    
 H   -3.559400      -2.402000      0.5745000    
 H    4.598200      -1.614500      0.7963000    
 H   -3.320800       1.637900       1.689000    


%chk=000099505-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099505

0 1
O -2.908850 0.085937 2.072701
O -3.532186 1.047603 0.050358
N -3.080503 -2.081037 -0.344596
C -1.317741 -0.540262 -1.180741
C -0.156540 0.372156 -0.813067
C 1.088094 -0.168712 -0.308989
C -2.132229 -1.017408 0.049597
C 2.158716 0.741706 0.055235
C -0.296230 1.761213 -0.938710
C 1.317200 -1.579202 -0.154744
C 1.965470 2.155218 -0.090312
C 0.758996 2.655421 -0.579226
C 3.395298 0.211357 0.552982
C -2.899926 0.162052 0.672096
C 2.532775 -2.066195 0.332523
C 3.583103 -1.164641 0.692629
H -2.006360 -0.006800 -1.862206
H -0.975268 -1.451205 -1.702310
H -1.455453 -1.428928 0.815820
H -1.242101 2.168029 -1.314864
H 0.530366 -2.288846 -0.431890
H 2.780754 2.833794 0.188061
H 0.611532 3.735134 -0.691068
H 4.195831 0.910959 0.822721
H 2.686930 -3.145848 0.438291
H -3.761329 -1.786796 -1.053577
H -3.517307 -2.574786 0.439922
H 4.531592 -1.558774 1.073773
H -3.461736 0.828359 2.442090


