%chk=000064196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064196

0 1
 O   0.9151000      -1.686100     -0.4784000    
 N   0.3363000      0.4798000      0.1129000    
 N    4.362700       1.495300     -0.1628000    
 C   -1.096700      0.2864000      7.3500000E-02
 C   -3.348000       1.398000      0.3976000    
 C   -3.061400     -0.3590000      -1.386900    
 C   -3.034600      -1.018000       1.046600    
 C   -1.823400       1.600600      0.4357000    
 C   -1.538000     -0.1493000      -1.341400    
 C   -1.511300     -0.8062000       1.082700    
 C   -3.764200      0.9578000      -1.016100    
 C   -3.737500      0.3026000       1.404500    
 C   -3.452300      -1.445600     -0.3707000    
 C    1.230100     -0.5394000     -0.1710000    
 C    2.669100     -0.1870000     -6.0500000E-02
 C    3.591300      -1.162400      0.2310000    
 C    3.070300       1.108000     -0.2493000    
 C    4.930900     -0.8027000      0.3281000    
 C    5.261700      0.5273000      0.1243000    
 H   -3.852400       2.335400      0.6568000    
 H   -3.363100     -0.6676000      -2.394000    
 H   -3.318100      -1.793900       1.766500    
 H   -1.536200       2.398600     -0.2618000    
 H   -1.518900       1.940800       1.434400    
 H   -1.055400      -1.079600      -1.658900    
 H   -1.245800      0.6111000      -2.078000    
 H   -1.200600     -0.5204000       2.096600    
 H   -1.028400      -1.767300      0.8776000    
 H   -4.852400      0.8273000      -1.062300    
 H   -3.505900       1.737900      -1.742600    
 H   -3.460100      0.6113000       2.419900    
 H   -4.825200      0.1606000       1.400900    
 H   -4.535000      -1.618500     -0.4057000    
 H   -2.969500      -2.395000     -0.6331000    
 H   0.6722000       1.379000      0.4414000    
 H    3.305500      -2.197400      0.3911000    
 H    2.398000       1.916100     -0.5133000    
 H    5.691900      -1.539700      0.5574000    
 H    6.292600      0.8593000      0.1895000    


%chk=000064196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064196

0 1
O 1.000309 -1.799909 -0.430413
N 0.340476 0.375491 0.131759
N 4.463825 1.589614 -0.137231
C -1.136489 0.184969 0.073336
C -3.337301 1.422200 0.391332
C -3.135206 -0.362610 -1.397642
C -3.151508 -1.018331 1.052915
C -1.790617 1.548721 0.432058
C -1.587544 -0.233326 -1.356783
C -1.604359 -0.889589 1.100479
C -3.781360 1.002646 -1.035883
C -3.796702 0.347084 1.414080
C -3.591242 -1.439725 -0.375443
C 1.287228 -0.594361 -0.131688
C 2.728698 -0.147158 -0.032983
C 3.720195 -1.131428 0.207777
C 3.159640 1.193156 -0.217633
C 5.071401 -0.741035 0.294569
C 5.395872 0.626775 0.128135
H -3.785792 2.401338 0.649996
H -3.443813 -0.663637 -2.417875
H -3.471451 -1.787002 1.783428
H -1.457036 2.323545 -0.289140
H -1.465607 1.866168 1.445174
H -1.107342 -1.191690 -1.621785
H -1.245353 0.529400 -2.084397
H -1.273890 -0.591502 2.115809
H -1.122395 -1.853395 0.858990
H -4.886043 0.924906 -1.078320
H -3.478432 1.773938 -1.772513
H -3.504287 0.647284 2.440640
H -4.901792 0.263661 1.399866
H -4.692660 -1.558159 -0.414021
H -3.144159 -2.419785 -0.633750
H 0.666741 1.283699 0.469908
H 3.405646 -2.174858 0.311242
H 2.450969 1.990852 -0.475420
H 5.861680 -1.473610 0.485398
H 6.432998 0.973765 0.198230


