%chk=000086137.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086137

0 1
 O   -3.655200       2.559700      9.3099996E-02
 O    5.254100      0.2694000     -0.9556000    
 O   0.1636000      -2.557100     -0.8050000    
 O   8.9999996E-03  -2.612400       1.452700    
 N   -1.753000     -0.4331000      0.3001000    
 N   -1.463500       1.791300      0.1768000    
 N    1.204500       1.608500      0.2352000    
 C   -3.103700      0.1834000      0.2392000    
 C   -3.820500     -0.3045000      -1.012900    
 C   -2.822100       1.670300      0.1585000    
 C   -3.868100     -0.1589000       1.511300    
 C   -2.984900     -1.8500000E-02  -2.260400    
 C   -4.132800      -1.797300     -0.9105000    
 C  -0.9111000      0.5549000      0.2578000    
 C   0.5288000      0.4338000      0.2921000    
 C    1.156800     -0.8046000      0.3768000    
 C    2.546600     -0.8378000      0.4044000    
 C    3.266100      0.3507000      0.3475000    
 C    2.554300       1.536500      0.2644000    
 C   0.4037000      -2.048300      0.4358000    
 C    4.753100      0.3489000      0.3748000    
 C    6.674200      0.2650000     -0.9763000    
 H   -4.771800      0.2330000      -1.122900    
 H   -4.913200      0.1637000       1.448500    
 H   -3.842200      -1.229900       1.737800    
 H   -3.428100      0.3507000       2.377600    
 H   -2.036200     -0.5653000      -2.264800    
 H   -3.534300     -0.3331000      -3.155600    
 H   -2.773500       1.047800      -2.384600    
 H   -4.866900      -2.007900     -0.1269000    
 H   -3.236300      -2.395800     -0.7172000    
 H   -4.569100      -2.158200      -1.849000    
 H  -0.9580000       2.669000      0.1354000    
 H    3.068700      -1.789600      0.4684000    
 H    3.059000       2.496400      0.2152000    
 H    5.123500       1.262200      0.8574000    
 H    5.119900     -0.5027000      0.9618000    
 H  -0.3478000      -3.393200     -0.7633000    
 H    7.003100      0.2029000      -2.017100    
 H    7.063600     -0.6029000     -0.4352000    
 H    7.067600       1.188700     -0.5407000    


%chk=000086137-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086137

0 1
O -3.871823 2.519141 0.301460
O 5.422039 -0.500672 -0.119778
O 0.051318 -2.045516 -1.617402
O 0.705132 -2.937320 0.430892
N -1.717992 -0.442445 0.245898
N -1.589202 1.853633 0.160806
N 1.155981 1.796859 0.174345
C -3.121825 0.090181 0.351001
C -4.006226 -0.435808 -0.834497
C -2.974347 1.642776 0.267984
C -3.702952 -0.277549 1.738805
C -3.411396 -0.036232 -2.206393
C -4.221472 -1.964357 -0.756969
C -0.927973 0.607378 0.139550
C 0.543754 0.576324 0.041402
C 1.281047 -0.626578 -0.130489
C 2.691312 -0.560484 -0.075303
C 3.330615 0.688548 0.086622
C 2.512717 1.842250 0.178865
C 0.636351 -1.965860 -0.350989
C 4.839425 0.806248 0.156238
C 6.881863 -0.491939 -0.030810
H -4.983271 0.076690 -0.715224
H -4.738363 0.097281 1.820315
H -3.690864 -1.369778 1.880216
H -3.103224 0.176429 2.547106
H -2.417098 -0.496671 -2.354226
H -4.074397 -0.379942 -3.020924
H -3.307872 1.059772 -2.305677
H -4.804012 -2.263058 0.131935
H -3.248893 -2.487965 -0.722234
H -4.774267 -2.312683 -1.648720
H -1.092583 2.745802 0.125178
H 3.301442 -1.461644 -0.171902
H 2.956170 2.841825 0.266394
H 5.199449 1.559305 -0.581851
H 5.146120 1.159329 1.168126
H -0.406991 -2.924879 -1.708364
H 7.207365 -1.519145 -0.254132
H 7.223794 -0.209332 0.986996
H 7.329050 0.205785 -0.769652


