%chk=000061118.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000061118

0 1
 O  -3.9700001E-02   1.142500      0.7535000    
 O    1.466500       1.839000     -0.8496000    
 N   -3.182400      0.2198000     -0.5073000    
 C  -0.2758000     -6.9899999E-02  8.2000000E-03
 C   -1.351500     -0.9239000      0.7528000    
 C  -0.8558000      0.4016000      -1.346200    
 C   -2.693800     -0.1592000      0.8251000    
 C   -2.219000       1.089800      -1.191400    
 C   -1.562800      -2.314000      0.1304000    
 C    1.081100     -0.7685000     -7.9099998E-02
 C   -4.485300      0.8771000     -0.4085000    
 C   -2.557200      -3.122700      0.9337000    
 C    1.698000     -0.9371000      -1.317700    
 C    1.699200      -1.234900       1.079900    
 C   0.8613000       2.008200      0.2000000    
 C    2.936100      -1.574300      -1.397500    
 C    2.937500      -1.872000       1.000000    
 C   0.9926000       3.217300       1.096000    
 C    3.556000      -2.041700     -0.2388000    
 C    1.995000       4.222600      0.5564000    
 H   -1.030100      -1.058700       1.794700    
 H   -1.003400     -0.4702000      -1.999500    
 H  -0.2330000       1.077600      -1.934400    
 H   -3.448800     -0.7471000       1.356800    
 H   -2.552800      0.7426000       1.438100    
 H   -2.101900       2.044600     -0.6627000    
 H   -2.592400       1.325000      -2.196100    
 H  -0.6165000      -2.865600      0.1171000    
 H   -1.904700      -2.252300     -0.9080000    
 H   -4.440200       1.800800      0.1797000    
 H   -5.219300      0.2082000      5.4699998E-02
 H   -4.869900       1.120900      -1.405100    
 H   -2.336800      -3.093000       2.005600    
 H   -3.587200      -2.791700      0.7728000    
 H   -2.517100      -4.171500      0.6189000    
 H    1.257400     -0.5996000      -2.249200    
 H    1.242000      -1.102200       2.056000    
 H    3.417600      -1.708100      -2.361800    
 H    3.421700      -2.233400       1.902400    
 H   9.9999998E-03   3.693400       1.180400    
 H    1.315200       2.880600       2.086900    
 H    4.520200      -2.537400     -0.3009000    
 H    1.696200       4.582700     -0.4336000    
 H    2.069100       5.084600       1.226400    
 H    2.989800       3.774200      0.4633000    


%chk=000061118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000061118

0 1
O -0.027855 1.158391 0.685731
O 1.481027 2.144241 -0.819106
N -3.152621 0.343159 -0.608276
C -0.261775 -0.090070 -0.175270
C -1.349193 -0.849047 0.656976
C -0.847581 0.320772 -1.544087
C -2.636926 0.010655 0.742445
C -2.157209 1.116065 -1.387881
C -1.650249 -2.266608 0.094517
C 1.063800 -0.859489 -0.231933
C -4.465467 1.011618 -0.555617
C -2.269536 -3.204876 1.153814
C 1.604273 -1.361935 -1.439984
C 1.766011 -1.105271 0.977936
C 0.873407 2.143560 0.274685
C 2.813308 -2.093728 -1.441710
C 2.974926 -1.831432 0.979292
C 1.007756 3.197283 1.368440
C 3.503721 -2.333376 -0.233059
C 1.694843 4.484272 0.877006
H -0.947032 -0.957319 1.684527
H -1.073082 -0.602720 -2.108885
H -0.109699 0.908936 -2.113644
H -3.419071 -0.557866 1.279838
H -2.424376 0.933262 1.336674
H -1.942440 2.107137 -0.910394
H -2.579095 1.320863 -2.389753
H -0.718860 -2.727304 -0.285089
H -2.341487 -2.162727 -0.763037
H -4.440112 1.999848 -0.028188
H -5.192144 0.365192 -0.031049
H -4.838109 1.183853 -1.581746
H -1.573366 -3.362930 1.999347
H -3.212254 -2.796753 1.563912
H -2.500450 -4.194206 0.718052
H 1.096201 -1.173268 -2.390338
H 1.368466 -0.710270 1.920026
H 3.218174 -2.470343 -2.387879
H 3.505319 -2.006048 1.922446
H 0.003844 3.400763 1.784220
H 1.588804 2.738354 2.193686
H 4.442424 -2.898683 -0.234706
H 1.093760 4.984225 0.097478
H 1.833909 5.190333 1.714760
H 2.681118 4.257590 0.438225


