%chk=000125107.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125107

0 1
 O    3.288500       2.223700     -0.4471000    
 N   -1.867600       2.086500     -0.1264000    
 C  -0.7695000       1.158400      0.2497000    
 C   -1.135600     -0.3152000      4.2199999E-02
 C   0.5252000       1.464700     -0.5371000    
 C   -2.487700     -0.7023000     -3.7799999E-02
 C   -3.119200       1.671400      0.5271000    
 C   -3.582100      0.3284000     -2.9899999E-02
 C  -0.1056000      -1.289000     -4.0000002E-03
 C    1.628700      0.4923000     -0.1850000    
 C    1.309100     -0.8579000      7.5300001E-02
 C   -1.572900       3.474900      0.2440000    
 C   -2.818300      -2.051600     -0.1941000    
 C  -0.4774000      -2.636700     -0.1592000    
 C    2.961600      0.9308000     -0.1614000    
 C   -1.817600      -3.013700     -0.2512000    
 C    2.364300      -1.728400      0.4018000    
 C    3.987600      4.5200001E-02  0.1531000    
 C    3.688500      -1.281500      0.4401000    
 H  -0.5640000       1.268700       1.325900    
 H   0.8587000       2.481500     -0.3078000    
 H   0.3483000       1.407900      -1.619500    
 H   -3.915600       2.402200      0.3383000    
 H   -2.989200       1.610400       1.616300    
 H   -3.936500      0.4596000      -1.060400    
 H   -4.427400     -2.9300001E-02  0.5702000    
 H  -0.7434000       3.879200     -0.3431000    
 H   -1.336000       3.577600       1.309000    
 H   -2.428700       4.123200      2.1500001E-02
 H   -3.857900      -2.357900     -0.2774000    
 H   0.2689000      -3.423900     -0.2293000    
 H   -2.078000      -4.060900     -0.3764000    
 H    2.181100      -2.772600      0.6411000    
 H    5.022800      0.3742000      0.1797000    
 H    4.485500      -1.975100      0.6930000    
 H    4.252500       2.333500     -0.3802000    


%chk=000125107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125107

0 1
O 3.231751 2.258033 -0.547599
N -1.863297 2.098512 -0.059268
C -0.750716 1.159900 0.248341
C -1.151545 -0.306042 0.042246
C 0.507336 1.456434 -0.601618
C -2.505979 -0.701296 -0.086365
C -3.130411 1.652281 0.573038
C -3.607319 0.346139 -0.077752
C -0.111631 -1.286979 0.005751
C 1.621876 0.497077 -0.229539
C 1.309753 -0.853502 0.098445
C -1.545107 3.496233 0.303331
C -2.823909 -2.074171 -0.233150
C -0.456014 -2.654082 -0.152664
C 2.974303 0.913213 -0.199346
C -1.804796 -3.048294 -0.264524
C 2.352475 -1.744617 0.473341
C 4.014048 0.025352 0.161706
C 3.690648 -1.306678 0.502864
H -0.450953 1.271247 1.329732
H 0.859285 2.488816 -0.453513
H 0.237107 1.352058 -1.672137
H -3.887163 2.444642 0.427701
H -3.009780 1.504642 1.678029
H -3.913900 0.564913 -1.119375
H -4.499228 -0.039926 0.452494
H -0.701853 3.875244 -0.296537
H -1.284889 3.620175 1.385676
H -2.420451 4.132981 0.085555
H -3.875059 -2.373689 -0.327714
H 0.332656 -3.410690 -0.218430
H -2.057908 -4.107253 -0.386335
H 2.117359 -2.773098 0.763614
H 5.057025 0.367360 0.185338
H 4.487489 -1.997688 0.798036
H 4.199899 2.451052 -0.488372


