%chk=000081225.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081225

0 1
 O    1.645800      0.1826000      -1.137700    
 O    2.913200      -2.414100      0.2456000    
 O    3.619100     -0.3295000       1.827900    
 O    3.059100       2.619200      -1.420100    
 N   -1.215100      -2.012700     -0.7727000    
 N   -2.514400      -1.733600     -0.5468000    
 N  -0.8042000       1.277700      0.2763000    
 N   -3.239600       1.635300      0.6450000    
 N   -4.916500     -5.6200001E-02  0.2562000    
 C    1.880200      -1.483100      0.5690000    
 C    1.132500      -1.098500     -0.7092000    
 C    2.461100     -0.1622000       1.038000    
 C    2.734100      0.5520000     -0.2748000    
 C  -0.3631000     -0.9818000     -0.5184000    
 C    2.789800       2.063800     -0.1448000    
 C   -1.169200      3.2600001E-02 -9.9299997E-02
 C   -2.519200     -0.4577000     -0.1231000    
 C   -3.580100      0.3733000      0.2615000    
 C   -1.913500       1.992800      0.6274000    
 H    1.254900      -1.953800       1.334700    
 H    1.333100      -1.807100      -1.522000    
 H    1.705500      0.3773000       1.622000    
 H    3.660400      0.1919000     -0.7409000    
 H    3.580600       2.372300      0.5454000    
 H    1.832200       2.467200      0.1988000    
 H    2.482700      -3.223700     -7.8299999E-02
 H    3.963200      0.5552000       2.037600    
 H  -0.9820000      -2.940700      -1.103000    
 H    3.090100       3.585000      -1.311600    
 H   -1.716400       3.012700      0.9454000    
 H   -5.148200     -0.9969000     -3.2800000E-02
 H   -5.643500      0.5850000      0.5428000    


%chk=000081225-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081225

0 1
O 1.901290 -0.653684 -1.311584
O 2.810773 -1.928681 1.364894
O 3.626282 0.666221 1.603534
O 3.551845 1.386916 -2.729878
N -0.843322 -0.396789 -1.560291
N -2.159118 0.037655 -1.543038
N -1.451555 -0.755502 1.964239
N -3.787033 0.024395 1.818120
N -4.813959 0.666772 -0.206205
C 1.768790 -0.937959 1.106019
C 1.086610 -1.291992 -0.225606
C 2.429364 0.432447 0.782273
C 2.873485 0.287198 -0.692408
C -0.322471 -0.770075 -0.336072
C 2.887328 1.612851 -1.442251
C -1.381689 -0.575147 0.586969
C -2.481703 -0.085670 -0.209243
C -3.716253 0.207641 0.471826
C -2.659540 -0.438005 2.477948
H 1.046127 -0.893612 1.942616
H 1.136197 -2.384446 -0.384603
H 1.690811 1.250354 0.905350
H 3.880621 -0.169115 -0.732771
H 3.451259 2.348064 -0.826443
H 1.843973 1.971616 -1.579243
H 3.598152 -1.433529 1.723621
H 3.366742 1.076448 2.466565
H -0.305514 -0.370338 -2.428582
H 3.607598 2.241064 -3.227263
H -2.779236 -0.557698 3.559414
H -4.775086 0.799923 -1.214460
H -5.668168 0.856979 0.314653


