%chk=000125392.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125392

0 1
 O   -4.232700      0.7295000     -0.8599000    
 O   -6.188300      -1.309700      0.3841000    
 O   -5.429700       3.252900     -0.7356000    
 O    2.530600      2.9899999E-02 -8.1500001E-02
 N   -2.079000      5.9500001E-02 -0.1250000    
 N  -0.2387000       1.321300     -4.2800002E-02
 N   -1.062500      -2.145100     -0.2285000    
 N    1.373700      -2.003900     -0.1973000    
 N   0.2696000      -4.066700     -0.3147000    
 C   -3.495400     -0.2859000     -0.1574000    
 C   -5.587100     -0.1261000      0.9045000    
 C   -4.138000     -0.4232000       1.215400    
 C   -5.498200      0.9273000     -0.1948000    
 C   -5.527500       2.348400      0.3505000    
 C   -1.020000     -0.8060000     -0.1592000    
 C   -1.555300       1.325700     -5.5900000E-02
 C   0.1093000     -4.6999999E-03 -0.1069000    
 C    1.341000     -0.6513000     -0.1278000    
 C   0.1874000      -2.657100     -0.2428000    
 C    3.716900     -0.7537000     -0.1098000    
 C    4.941800      8.7300003E-02  2.3200000E-02
 C    5.564000      0.5981000      -1.115800    
 C    5.465000      0.3621000       1.286500    
 C    6.709700       1.384100     -0.9914000    
 C    6.610600       1.148100       1.411000    
 C    7.232900       1.659100      0.2719000    
 H   -3.588400      -1.211700     -0.7376000    
 H   -6.167100      0.1855000       1.777000    
 H   -3.741600      0.3279000       1.909100    
 H   -3.967600      -1.416000       1.643200    
 H   -6.279200      0.8020000     -0.9535000    
 H   -4.680700       2.537400       1.018100    
 H   -6.461500       2.542800      0.8867000    
 H   -5.779900      -1.521600     -0.4717000    
 H   -2.175700       2.210500     -1.2400000E-02
 H   -5.451600       4.151100     -0.3637000    
 H    3.764800      -1.317700      -1.051300    
 H    3.702400      -1.488800      0.7067000    
 H  -0.5802000      -4.612300     -0.3514000    
 H    1.177300      -4.510900     -0.3289000    
 H    5.164800      0.3930000      -2.105600    
 H    4.988200     -2.8000001E-02   2.181800    
 H    7.194000       1.782500      -1.878200    
 H    7.017700       1.363000       2.394700    
 H    8.124600       2.271300      0.3688000    


%chk=000125392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125392

0 1
O -4.454875 0.516907 -1.346129
O -6.756260 -0.862225 0.077729
O -4.167820 3.244835 -0.369532
O 2.365856 0.014993 0.000346
N -2.238905 -0.126484 -0.671229
N -0.366854 1.199833 -0.815479
N -1.216473 -2.224837 0.141582
N 1.216070 -2.001323 0.442838
N 0.109024 -4.014401 0.889113
C -3.643734 -0.584725 -0.822364
C -5.586328 -0.163441 0.623853
C -4.291222 -1.016581 0.527417
C -5.245333 1.091379 -0.212617
C -4.487484 2.167675 0.573759
C -1.172351 -0.924073 -0.258680
C -1.694863 1.135170 -1.009548
C -0.017962 -0.084020 -0.347343
C 1.199177 -0.708215 0.039068
C 0.024449 -2.702941 0.475497
C 3.610127 -0.685035 0.395322
C 4.766409 0.289092 0.267437
C 4.611062 1.576264 -0.299878
C 6.046386 -0.120085 0.721356
C 5.725235 2.440307 -0.412012
C 7.157626 0.742712 0.606312
C 7.000248 2.028795 0.037647
H -3.656355 -1.385882 -1.580985
H -5.871929 0.065639 1.662411
H -3.605688 -0.807083 1.364884
H -4.531905 -2.089850 0.547363
H -6.138173 1.536219 -0.680782
H -3.566560 1.753932 1.035630
H -5.156807 2.532343 1.383215
H -6.611569 -1.000556 -0.894608
H -2.333426 1.938980 -1.370699
H -3.674808 3.962857 0.101459
H 3.740409 -1.567372 -0.260258
H 3.498410 -1.057856 1.430874
H -0.733880 -4.580179 0.921189
H 1.016545 -4.397833 1.134928
H 3.621327 1.890824 -0.641942
H 6.176411 -1.115335 1.166557
H 5.594590 3.435832 -0.851305
H 8.141420 0.414755 0.960724
H 7.861182 2.700888 -0.051320


