%chk=000048975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048975

0 1
 O  -0.3869000      8.8600002E-02  5.2299999E-02
 O    3.109800      -1.785700     -0.9282000    
 O   0.5754000      -1.992900      8.3899997E-02
 N   -4.061500      2.1299999E-02 -0.2287000    
 C   -2.720200      0.5911000     -0.1052000    
 C   -5.061500       1.084200     -0.3235000    
 C   -4.351700     -0.8537000      0.9065000    
 C   -1.672600     -0.5094000     -5.0099999E-02
 C   -4.775500       2.003900      -1.498500    
 C   -5.718000      -1.502800      0.7642000    
 C    1.945100     -3.9799999E-02  0.2173000    
 C   0.6814000     -0.7711000      0.1133000    
 C    3.119000     -0.5710000     -0.3073000    
 C    4.311900      0.1437000     -0.1966000    
 C    1.951300       1.198700      0.8513000    
 C    4.324300       1.385800      0.4381000    
 C    3.144000       1.913200      0.9620000    
 C    5.585700     -0.4041000     -0.7506000    
 H   -2.628900       1.237200      0.7784000    
 H   -2.457700       1.211200     -0.9692000    
 H   -6.054400      0.6634000     -0.5123000    
 H   -5.121700       1.674700      0.5995000    
 H   -3.658700      -1.698000      0.9461000    
 H   -4.287900     -0.3230000       1.864600    
 H   -1.716800      -1.129400     -0.9537000    
 H   -1.782300      -1.142500      0.8340000    
 H   -3.946600       2.690800      -1.301800    
 H   -4.566000       1.441800      -2.415300    
 H   -5.654200       2.628900      -1.695200    
 H   -6.536000     -0.8051000      0.9682000    
 H   -5.860200      -1.937400     -0.2313000    
 H   -5.815700      -2.316800       1.491700    
 H    1.052100       1.630300       1.282500    
 H    5.245000       1.955200      0.5338000    
 H    3.154600       2.878900       1.459000    
 H    5.831100      -1.356700     -0.2696000    
 H    5.495100     -0.5595000      -1.830700    
 H    6.429300      0.2749000     -0.5856000    
 H    2.207500      -2.136700     -0.9884000    


%chk=000048975-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048975

0 1
O -0.406238 0.379392 -0.031303
O 3.129687 -1.803534 -0.885548
O 0.562146 -1.567368 -0.851385
N -4.142450 0.163936 0.125894
C -2.781674 0.708918 0.344703
C -5.174588 1.206843 -0.113434
C -4.539206 -0.841334 1.150143
C -1.752299 -0.203596 -0.332417
C -5.076952 1.836795 -1.515897
C -5.550113 -1.874422 0.617293
C 1.991588 0.220961 -0.056287
C 0.690370 -0.396742 -0.346099
C 3.180519 -0.531523 -0.347499
C 4.471292 0.018630 -0.086472
C 2.104828 1.528057 0.496243
C 4.537518 1.315543 0.460623
C 3.370099 2.073568 0.753025
C 5.704323 -0.798668 -0.402477
H -2.529806 0.817045 1.425547
H -2.709887 1.716119 -0.101839
H -6.164045 0.725077 -0.013564
H -5.133319 2.008801 0.666526
H -3.625805 -1.376956 1.470581
H -4.948838 -0.345481 2.066109
H -1.894421 -0.225725 -1.426216
H -1.785073 -1.239592 0.047616
H -4.108989 2.347072 -1.673362
H -5.180098 1.056906 -2.290191
H -5.876174 2.587890 -1.658914
H -6.496293 -1.399927 0.299934
H -5.127053 -2.403505 -0.254040
H -5.794251 -2.615812 1.400868
H 1.189842 2.087031 0.711336
H 5.525135 1.747085 0.663729
H 3.463096 3.078448 1.176713
H 5.697822 -1.755016 0.151778
H 5.737656 -1.066471 -1.474413
H 6.624240 -0.246457 -0.146155
H 2.145010 -2.049792 -1.016249


