%chk=000101337.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101337

0 1
 O    5.019900      0.3669000     -0.2914000    
 O   -3.733300      0.2537000      5.4600000E-02
 O   -3.042500      -1.939700      0.1561000    
 N   -1.101200       2.409700     -0.1587000    
 C    1.019500     -0.6538000     -8.0499999E-02
 C    1.622100     -0.5137000      -1.321500    
 C    1.734700     -0.4576000       1.091200    
 C    3.703000      3.1099999E-02 -0.2218000    
 C    2.971800     -0.1693000      -1.392600    
 C    3.084500     -0.1131000       1.020000    
 C  -0.4037000      -1.017700     -5.2999998E-03
 C   -1.434400     -0.1517000      3.0000001E-04
 C   -5.099100     -0.1696000      0.1259000    
 C   -2.804500     -0.7426000      7.9400003E-02
 C   -5.995800       1.049500      8.7099999E-02
 C    5.708000      0.5570000      0.9442000    
 C   -1.249100       1.260900     -8.7099999E-02
 H    1.063600     -0.6679000      -2.241200    
 H    1.263500     -0.5677000       2.064500    
 H  -0.5701000      -2.091200      5.5100001E-02
 H    3.448300     -5.8600001E-02  -2.362800    
 H    3.592800      2.7600000E-02   1.967900    
 H   -5.324000     -0.8219000     -0.7253000    
 H   -5.262400     -0.7198000       1.059300    
 H   -7.049500      0.7619000      0.1400000    
 H   -5.769800       1.720600      0.9223000    
 H   -5.830500       1.620200     -0.8327000    
 H    5.741800     -0.3665000       1.532100    
 H    5.291100       1.395700       1.512000    
 H    6.742900      0.8189000      0.7008000    


%chk=000101337-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101337

0 1
O 5.158670 0.539624 -0.226205
O -3.931491 0.171149 -0.160808
O -2.984548 -1.281133 1.403459
N -1.599906 1.907286 -1.931239
C 1.005841 -0.129546 0.323460
C 1.517692 0.792574 -0.648624
C 1.951853 -0.839285 1.124506
C 3.814680 0.265485 0.012426
C 2.894590 0.984617 -0.800017
C 3.337660 -0.655104 0.983141
C -0.401091 -0.403626 0.564443
C -1.553666 0.104416 -0.015754
C -5.293692 -0.273764 0.269104
C -2.858590 -0.419183 0.496229
C -6.293686 0.514616 -0.569006
C 6.163751 -0.163383 0.582433
C -1.581431 1.086323 -1.059027
H 0.834128 1.358979 -1.285385
H 1.582518 -1.549916 1.873798
H -0.611077 -1.147709 1.348220
H 3.291482 1.686311 -1.539363
H 4.026927 -1.219372 1.617500
H -5.366444 -1.364601 0.107206
H -5.394444 -0.077890 1.352060
H -7.323483 0.223280 -0.292635
H -6.180083 1.598800 -0.400466
H -6.150474 0.314257 -1.644226
H 6.108462 -1.256943 0.423263
H 6.042203 0.067945 1.657545
H 7.131250 0.217093 0.225860


