%chk=000100628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100628

0 1
 O    4.929500      0.7433000     -0.3220000    
 O   -4.622600       1.281200      0.3424000    
 O   -2.573300      -2.983400      0.1219000    
 O   -2.086100       2.334000      0.1903000    
 N   0.1708000      0.9126000      9.2000002E-03
 N    2.591500       2.243000     -0.1328000    
 C    1.278900      -1.224900     -0.1078000    
 C    1.299900      0.1858000     -8.2300000E-02
 C   -1.129500      -1.120700      5.9000000E-02
 C   -1.009600      0.2544000      7.7399999E-02
 C   3.6800001E-02  -1.871800     -3.5300002E-02
 C    2.534500      0.8246000     -0.1552000    
 C    2.479300      -1.949300     -0.2034000    
 C   -2.449400      -1.765300      0.1362000    
 C    3.727400      0.1041000     -0.2507000    
 C   -2.198500       1.114000      0.1751000    
 C    3.700200      -1.284600     -0.2748000    
 C   -3.523900      0.4523000      0.2519000    
 C   -3.631600     -0.8813000      0.2331000    
 C    5.587500       1.023400      0.9114000    
 C   -5.112000       1.608900     -0.9436000    
 H  -8.6000003E-03  -2.958600     -5.3100001E-02
 H    2.469900      -3.036900     -0.2235000    
 H    4.621400      -1.855500     -0.3497000    
 H   -4.602300      -1.363000      0.2905000    
 H    3.483200       2.714000     -0.2083000    
 H    1.735700       2.778200     -6.9499999E-02
 H    6.504900       1.576500      0.6921000    
 H    5.854600      9.2000000E-02   1.420700    
 H    4.956300       1.637500       1.561300    
 H   -5.967700       2.279800     -0.8217000    
 H   -5.457900      0.7162000      -1.476500    
 H   -4.356200       2.132300      -1.539500    


%chk=000100628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100628

0 1
O 4.736783 1.273012 0.172216
O -4.929995 0.661240 -0.539476
O -2.471049 -3.299821 0.276478
O -2.425710 2.169548 -0.561065
N 0.004721 0.866931 -0.156192
N 2.286047 2.375956 -0.195086
C 1.290420 -1.221052 0.265148
C 1.195333 0.212704 0.041015
C -1.154160 -1.278709 0.074184
C -1.140250 0.150169 -0.142202
C 0.059421 -1.944846 0.274454
C 2.387354 1.026097 0.016390
C 2.569296 -1.811187 0.458162
C -2.442415 -2.034244 0.084144
C 3.644692 0.388242 0.215479
C -2.412156 0.914436 -0.365638
C 3.727240 -1.010516 0.432288
C -3.683342 0.100858 -0.346443
C -3.665570 -1.267135 -0.134548
C 6.077249 0.715612 0.369438
C -5.170910 2.106815 -0.768300
H 0.038092 -3.028318 0.437383
H 2.650449 -2.889607 0.626958
H 4.703928 -1.481054 0.582567
H -4.610630 -1.819364 -0.128330
H 3.119924 2.956445 -0.213070
H 1.348719 2.759548 -0.329838
H 6.760245 1.574575 0.300256
H 6.322412 -0.021253 -0.419169
H 6.169919 0.243569 1.366256
H -6.266014 2.166105 -0.863669
H -4.673704 2.450011 -1.688754
H -4.813240 2.708034 0.081763


