%chk=000039498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039498

0 1
 O    3.205400      -1.040400      0.4206000    
 O    3.089300       1.162500      0.2517000    
 N    1.759100     -0.1515000     -0.9645000    
 N    2.741500      1.1000000E-02 -2.8999999E-02
 C   0.3826000     -8.1699997E-02 -0.4773000    
 C   -1.324300       1.385600      0.6730000    
 C   -2.050700     -0.1944000      -1.152700    
 C   -1.323700      -1.102100       1.084700    
 C   0.1268000       1.298800      0.1660000    
 C  -0.5975000     -0.2768000      -1.654800    
 C   0.1274000      -1.182600      0.5769000    
 C   -2.286700       1.182900     -0.5096000    
 C   -1.563300      0.2802000       1.715600    
 C   -2.285900      -1.291500     -0.1005000    
 H   -1.499500       2.367100       1.127700    
 H   -2.740300     -0.3335000      -1.992700    
 H   -1.498500      -1.885000       1.831200    
 H   0.3129000       2.104300     -0.5566000    
 H   0.7805000       1.479800       1.027400    
 H  -0.4313000      -1.249300      -2.137100    
 H  -0.4309000      0.4892000      -2.423800    
 H   0.7937000      -1.078100       1.442200    
 H   0.3114000      -2.177500      0.1500000    
 H   -3.325100       1.261900     -0.1649000    
 H   -2.137200       1.974500      -1.254100    
 H  -0.8941000      0.4221000       2.573000    
 H   -2.589100      0.3433000       2.099100    
 H   -3.324300      -1.256100      0.2513000    
 H   -2.135700      -2.280500     -0.5506000    
 H    1.895300      -1.093000      -1.335600    


%chk=000039498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039498

0 1
O 4.034163 -0.316702 -0.788437
O 2.830649 0.129829 1.124838
N 1.758079 -0.280142 -0.876423
N 2.927297 -0.147018 -0.134285
C 0.373998 -0.131432 -0.354207
C -1.367659 1.426249 0.635176
C -2.038231 -0.246159 -1.147073
C -1.429983 -1.051095 1.177073
C 0.118064 1.302142 0.198739
C -0.552736 -0.377121 -1.581519
C 0.055205 -1.190140 0.743260
C -2.289979 1.180998 -0.589381
C -1.674461 0.376602 1.738013
C -2.353008 -1.295483 -0.046632
H -1.538105 2.445432 1.032850
H -2.682851 -0.423047 -2.029823
H -1.643365 -1.802089 1.962167
H 0.351256 2.044554 -0.589881
H 0.791127 1.494050 1.052432
H -0.368407 -1.390110 -1.993769
H -0.326862 0.362900 -2.376171
H 0.726531 -1.039944 1.606766
H 0.245543 -2.203787 0.338488
H -3.352364 1.286608 -0.293648
H -2.090661 1.938609 -1.373733
H -1.027466 0.552838 2.619685
H -2.725257 0.476491 2.075049
H -3.416030 -1.215549 0.254896
H -2.200431 -2.320499 -0.440387
H 1.953745 -0.497786 -1.857463


