%chk=000068896.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068896

0 1
 O    2.680600       2.321800       1.036000    
 O    3.087500       2.024200      -1.223500    
 N   -3.145300      0.3724000     -0.1054000    
 N   0.5601000      0.1724000     -8.2999997E-02
 C   -1.819200      0.9444000      0.2524000    
 C  -0.7726000     -0.1154000      0.1011000    
 C  -0.9845000      -1.464200      0.1477000    
 C   -2.361300      -2.015300      0.2448000    
 C   -3.380300     -0.9074000      0.6189000    
 C   -1.412100       2.183900     -0.5756000    
 C   0.2870000      -2.077900      5.6699999E-02
 C    1.243600      -1.049400     -8.5800000E-02
 C   0.9831000       1.498100     -0.2684000    
 C   -4.231400       1.310500      0.1864000    
 C   7.4199997E-02   2.469100     -0.5008000    
 C   0.7103000      -3.424000      6.1999999E-02
 C    2.604200      -1.365200     -0.2546000    
 C   -5.568600      0.7742000     -0.2814000    
 C    2.370200       1.971800     -0.2375000    
 C    2.065400      -3.725000     -7.9499997E-02
 C    2.996700      -2.708000     -0.2398000    
 C    4.012500       2.809000       1.229500    
 H   -1.829100       1.233000       1.314900    
 H   -2.634700      -2.444800     -0.7270000    
 H   -2.403400      -2.818700      0.9884000    
 H   -4.363700      -1.331400      0.3951000    
 H   -3.342900     -0.7326000       1.703200    
 H   -1.953200       3.063500     -0.2075000    
 H   -1.680100       2.057600      -1.632500    
 H   -4.280200       1.556700       1.254400    
 H   -4.063800       2.248600     -0.3539000    
 H   0.3834000       3.497300     -0.6723000    
 H  -1.1800000E-02  -4.228700      0.1714000    
 H    3.352700     -0.5915000     -0.3862000    
 H   -5.512600      0.3690000      -1.297600    
 H   -5.972400      6.8999999E-03  0.3858000    
 H   -6.303700       1.587100     -0.2968000    
 H    2.390500      -4.761600     -7.3899999E-02
 H    4.048200      -2.956700     -0.3592000    
 H    4.740100       2.037000      0.9614000    
 H    4.134400       3.054200       2.287800    
 H    4.174000       3.715000      0.6377000    


%chk=000068896-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000068896

0 1
O 2.924534 1.568589 0.926126
O 2.704195 3.246946 -0.675465
N -3.199592 0.349641 -0.000181
N 0.554902 0.314166 0.013102
C -1.883135 1.032140 0.192639
C -0.806692 -0.017266 0.224305
C -0.966520 -1.382616 0.338502
C -2.338869 -1.973991 0.513799
C -3.329309 -0.845710 0.889925
C -1.527557 2.026218 -0.956406
C 0.347939 -1.977879 0.175242
C 1.288290 -0.903781 -0.043120
C 0.894649 1.646844 -0.345391
C -4.344956 1.287380 0.175389
C -0.088624 2.478693 -0.821595
C 0.801802 -3.319668 0.161384
C 2.648847 -1.163714 -0.306898
C -5.652348 0.766497 -0.451240
C 2.245632 2.231727 -0.096044
C 2.164687 -3.578820 -0.086663
C 3.073272 -2.510322 -0.326369
C 4.247124 2.134926 1.284137
H -1.872711 1.612138 1.155394
H -2.669684 -2.461204 -0.424889
H -2.355529 -2.749335 1.305260
H -4.361950 -1.223291 0.803736
H -3.166739 -0.558876 1.960823
H -2.194039 2.905783 -0.951266
H -1.689446 1.498415 -1.919438
H -4.510577 1.524666 1.258157
H -4.083273 2.239876 -0.318489
H 0.189293 3.509869 -1.057184
H 0.098984 -4.143572 0.328947
H 3.363632 -0.359177 -0.488181
H -5.494801 0.535174 -1.518972
H -6.022715 -0.147320 0.046205
H -6.445603 1.532350 -0.368665
H 2.530764 -4.611383 -0.104179
H 4.126438 -2.734080 -0.530553
H 4.905413 2.167357 0.399426
H 4.640674 1.455302 2.052304
H 4.125395 3.157209 1.679785


