%chk=000029392.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029392

0 1
 O   0.9169000      -1.674100     -0.4830000    
 N   0.3300000      0.4887000      0.1121000    
 C   -1.102200      0.2897000      7.3500000E-02
 C   -3.357500       1.392000      0.4011000    
 C   -3.065600     -0.3612000      -1.386200    
 C   -3.034200      -1.023700       1.046200    
 C   -1.833700       1.600600      0.4383000    
 C   -1.543000     -0.1456000      -1.341700    
 C   -1.511700     -0.8060000       1.081400    
 C   -3.773200      0.9523000      -1.012900    
 C   -3.742000      0.2935000       1.406700    
 C   -3.451400      -1.450800     -0.3713000    
 C    1.227600     -0.5267000     -0.1741000    
 C    2.665300     -0.1688000     -6.4300001E-02
 C    3.579700      -1.160300      0.2251000    
 C    3.040400       1.144700     -0.2571000    
 C    4.929400     -0.8234000      0.3262000    
 C    4.390200       1.481500     -0.1559000    
 C    5.334800      0.4975000      0.1357000    
 H   -3.865300       2.327100      0.6622000    
 H   -3.366900     -0.6695000      -2.393600    
 H   -3.314000      -1.801800       1.765200    
 H   -1.550200       2.400700     -0.2583000    
 H   -1.529700       1.940400       1.437200    
 H   -1.057000      -1.073500      -1.661000    
 H   -1.254400      0.6170000      -2.077400    
 H   -1.201200     -0.5205000       2.095500    
 H   -1.025200      -1.764900      0.8745000    
 H   -4.860900      0.8176000      -1.058400    
 H   -3.518500       1.734500      -1.738500    
 H   -3.464900      0.6018000       2.422300    
 H   -4.829100      0.1474000       1.403800    
 H   -4.533400      -1.627900     -0.4057000    
 H   -2.965100      -2.397900     -0.6356000    
 H   0.6605000       1.385300      0.4521000    
 H    3.280000      -2.192300      0.3810000    
 H    2.343600       1.933200     -0.5214000    
 H    5.664900      -1.589500      0.5541000    
 H    4.707500       2.508500     -0.3124000    
 H    6.386000      0.7595000      0.2128000    


%chk=000029392-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029392

0 1
O 0.990091 -1.788845 -0.452681
N 0.332699 0.380949 0.124271
C -1.142291 0.186219 0.070469
C -3.347493 1.414297 0.401568
C -3.145019 -0.361031 -1.396890
C -3.151355 -1.028858 1.050521
C -1.801149 1.545617 0.437816
C -1.597895 -0.226455 -1.359899
C -1.604768 -0.894839 1.093594
C -3.794950 1.000079 -1.026246
C -3.800204 0.332551 1.420371
C -3.594306 -1.444636 -0.378529
C 1.283632 -0.585616 -0.150248
C 2.723626 -0.131598 -0.051334
C 3.705913 -1.117494 0.220120
C 3.130144 1.214342 -0.250051
C 5.066901 -0.761901 0.321992
C 4.494287 1.569216 -0.155494
C 5.465034 0.584032 0.139064
H -3.798945 2.390608 0.666508
H -3.456327 -0.658057 -2.417603
H -3.466975 -1.802197 1.778139
H -1.472198 2.324971 -0.280793
H -1.473684 1.859233 1.451459
H -1.114135 -1.181330 -1.630672
H -1.260231 0.541103 -2.084679
H -1.271687 -0.600853 2.109345
H -1.118961 -1.854921 0.845275
H -4.899619 0.918843 -1.065395
H -3.496817 1.776084 -1.760025
H -3.505278 0.628578 2.447479
H -4.905189 0.245671 1.409204
H -4.695511 -1.567034 -0.414376
H -3.144030 -2.421568 -0.642977
H 0.659908 1.281449 0.480615
H 3.375646 -2.154802 0.337646
H 2.397456 1.984563 -0.521157
H 5.817063 -1.530013 0.540087
H 4.800480 2.608010 -0.322087
H 6.522638 0.860734 0.213793


