%chk=000097711.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097711

0 1
 O  -0.7441000      0.6735000      0.9419000    
 N   -2.248400      -1.074400     -0.7205000    
 C   -2.893900      7.6099999E-02 -6.5300003E-02
 C   -2.124900      0.4312000       1.219300    
 C  -0.1217000     -0.4927000      0.3882000    
 C  -0.8118000     -0.8835000     -0.9237000    
 C   -2.962800       1.287700      -1.013500    
 C   -4.325500     -0.3453000      0.3003000    
 C    1.349100     -0.2081000      0.1751000    
 C    2.283300      -1.238100      0.2887000    
 C    1.772200       1.084800     -0.1348000    
 C    3.639200     -0.9756000      9.2699997E-02
 C    3.128000       1.347300     -0.3310000    
 C    4.061400      0.3171000     -0.2172000    
 H   -2.531900       1.342100       1.672600    
 H   -2.201300     -0.3633000       1.973100    
 H  -0.2148000      -1.301800       1.126100    
 H  -0.6468000     -0.1216000      -1.695000    
 H  -0.3828000      -1.815500      -1.309800    
 H   -2.698000      -1.266900      -1.615100    
 H   -3.469500       1.030300      -1.951000    
 H   -3.523900       2.109200     -0.5526000    
 H   -1.971600       1.678600      -1.265900    
 H   -4.329200      -1.217600      0.9647000    
 H   -4.853900      0.4641000      0.8172000    
 H   -4.907800     -0.6045000     -0.5919000    
 H    1.966400      -2.249800      0.5277000    
 H    1.064400       1.902300     -0.2423000    
 H    4.366000      -1.777800      0.1805000    
 H    3.456800       2.353200     -0.5755000    
 H    5.117000      0.5213000     -0.3709000    


%chk=000097711-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097711

0 1
O -0.754486 0.749810 0.930823
N -2.236603 -1.089306 -0.647314
C -2.956980 0.094993 -0.085902
C -2.180862 0.498574 1.195408
C -0.099660 -0.469543 0.410033
C -0.795984 -0.882867 -0.911337
C -3.027921 1.294172 -1.075262
C -4.378323 -0.359354 0.308734
C 1.377596 -0.182296 0.215409
C 2.305948 -1.253248 0.220881
C 1.843337 1.134233 -0.021738
C 3.678067 -1.016448 -0.017640
C 3.216743 1.372677 -0.255062
C 4.137928 0.299489 -0.258499
H -2.566690 1.444850 1.611021
H -2.281040 -0.313681 1.947193
H -0.246772 -1.293646 1.143745
H -0.573910 -0.098500 -1.672983
H -0.360768 -1.833202 -1.271661
H -2.734832 -1.492443 -1.452221
H -3.494728 0.982001 -2.028815
H -3.632857 2.119416 -0.655354
H -2.020670 1.692071 -1.289543
H -4.328517 -1.229084 0.987432
H -4.933249 0.455690 0.808513
H -4.955666 -0.656217 -0.587986
H 1.956314 -2.274625 0.419746
H 1.125473 1.959479 0.003339
H 4.386547 -1.852601 -0.008149
H 3.569164 2.395554 -0.431353
H 5.202600 0.486352 -0.439356


