%chk=000063169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063169

0 1
 I    5.438300       2.037200      0.1629000    
 O  -6.3299999E-02   1.906800     -0.7694000    
 N  -0.8682000     -0.2708000     -0.4693000    
 N   -4.323900      0.9632000      0.1800000    
 N   0.6313000      -2.009600      0.1486000    
 C   -2.239700      0.1222000     -0.7893000    
 C   -2.962400      0.5415000      0.4844000    
 C  -0.5597000      -1.590600     -0.1455000    
 C   0.1215000      0.7237000     -0.4981000    
 C    1.486700      0.2637000     -0.1659000    
 C    1.683200      -1.084400      0.1439000    
 C   -1.681100      -2.602200     -0.1363000    
 C   -5.011400       1.404200       1.395300    
 C   -5.069900     -0.1226000     -0.4590000    
 C    2.559000       1.162900     -0.1621000    
 C    2.973700      -1.524200      0.4599000    
 C    3.839200      0.7104000      0.1544000    
 C    4.046800     -0.6317000      0.4654000    
 H   -2.212900      0.9635000      -1.493400    
 H   -2.723800     -0.7043000      -1.310700    
 H   -2.953200     -0.2631000       1.229500    
 H   -2.417100       1.380900      0.9359000    
 H   -2.034800      -2.771200      -1.157400    
 H   -2.512500      -2.279100      0.4908000    
 H   -1.317300      -3.558000      0.2548000    
 H   -5.109100      0.5976000       2.131000    
 H   -6.013400       1.778500       1.157400    
 H   -4.471300       2.235000       1.863200    
 H   -4.999900      -1.064400      9.7499996E-02
 H   -4.750700     -0.2860000      -1.492600    
 H   -6.132900      0.1386000     -0.5339000    
 H    2.396000       2.210200     -0.4047000    
 H    3.151000      -2.568900      0.7045000    
 H    5.036600      -1.005600      0.7151000    


%chk=000063169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063169

0 1
I 5.428933 2.169424 0.576023
O -0.219391 1.928193 -0.515318
N -0.840115 -0.338499 -0.531198
N -4.400619 0.815097 0.180261
N 0.730867 -2.108550 -0.066955
C -2.232969 0.100920 -0.818548
C -2.995263 0.479048 0.478263
C -0.498821 -1.694012 -0.354927
C 0.125046 0.715300 -0.385924
C 1.490392 0.252395 -0.085863
C 1.744274 -1.146240 0.066542
C -1.578929 -2.740105 -0.512598
C -4.971889 1.831214 1.087440
C -5.270888 -0.368402 0.043454
C 2.536646 1.200884 0.059092
C 3.068315 -1.575963 0.364852
C 3.829541 0.747287 0.351701
C 4.105827 -0.641164 0.506151
H -2.177183 0.996370 -1.456869
H -2.755575 -0.694198 -1.370977
H -2.905672 -0.351769 1.224568
H -2.498510 1.364127 0.911928
H -1.938315 -2.802685 -1.556851
H -2.452501 -2.541604 0.134154
H -1.141524 -3.710304 -0.238062
H -5.073863 1.480484 2.145086
H -5.975535 2.122909 0.728804
H -4.335359 2.732779 1.082803
H -5.388098 -0.939179 1.000263
H -4.869795 -1.060321 -0.718676
H -6.275096 -0.054222 -0.292193
H 2.296691 2.260832 -0.062699
H 3.253074 -2.647995 0.479244
H 5.121103 -0.978648 0.733930


