%chk=000012589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012589

0 1
 O   -3.266000      -1.079700     -0.4455000    
 O   -3.290300       1.115000     -0.2532000    
 N   -2.794900     -4.4000000E-03 -3.6699999E-02
 C   0.9638000     -6.3900001E-02  0.5726000    
 C    2.169600      8.2900003E-02 -0.3583000    
 C  -0.3794000      5.1199999E-02 -0.1531000    
 C    3.482800     -0.1084000      0.4020000    
 C   -1.571600     -5.9799999E-02  0.7827000    
 C    4.686100      6.7100003E-02 -0.5107000    
 H    1.017000      0.7034000       1.355000    
 H    1.011800      -1.036300       1.078400    
 H    2.102400     -0.6563000      -1.165600    
 H    2.151400       1.074900     -0.8255000    
 H  -0.4326000     -0.7306000     -0.9224000    
 H  -0.4161000       1.009700     -0.6874000    
 H    3.512300      -1.109000      0.8488000    
 H    3.546700      0.6156000       1.222700    
 H   -1.578700      -1.008600       1.328800    
 H   -1.609200      0.7646000       1.501700    
 H    5.613400     -7.4699998E-02  5.3100001E-02
 H    4.669200     -0.6627000      -1.326400    
 H    4.704100       1.070800     -0.9475000    


%chk=000012589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012589

0 1
O -3.394862 -1.045799 -0.499486
O -3.378314 1.213311 -0.160460
N -2.890360 0.031570 -0.006479
C 0.951947 -0.081153 0.585174
C 2.181095 0.057331 -0.342194
C -0.383040 0.046935 -0.184155
C 3.524241 -0.071549 0.411966
C -1.587435 -0.094403 0.770773
C 4.748413 0.069197 -0.518195
H 1.002485 0.694752 1.376630
H 0.992206 -1.062765 1.100842
H 2.132002 -0.715728 -1.136744
H 2.144274 1.038810 -0.858680
H -0.442137 -0.735411 -0.964539
H -0.431255 1.030095 -0.689685
H 3.560901 -1.053075 0.927161
H 3.572322 0.699829 1.207473
H -1.604826 -1.086047 1.250276
H -1.595722 0.707053 1.526446
H 5.695491 -0.026712 0.043510
H 4.741399 -0.709459 -1.303930
H 4.752974 1.054015 -1.022203


