%chk=000039280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039280

0 1
 O    2.451700      0.2027000       1.210300    
 O  -0.2674000      0.3054000       2.329900    
 N  -0.4254000      -1.415300      0.7223000    
 N   -4.518100      0.1000000      0.2440000    
 C    1.280200      0.2052000      0.4185000    
 C    1.304700     -0.8494000     -0.6560000    
 C   0.2808000      -1.772300     -0.4343000    
 C   0.1025000     -0.2539000       1.307000    
 C   -1.553100      -2.149300       1.245900    
 C    1.043600       1.581600     -0.1004000    
 C   -2.876100      -1.717900      0.6161000    
 C    2.162900     -0.9901000      -1.734100    
 C   7.4500002E-02  -2.849700      -1.278300    
 C   -3.241900     -0.2503000      0.8557000    
 C  -0.1301000       1.874200     -0.7966000    
 C    1.995500       2.580700      0.1086000    
 C    1.968900      -2.072000      -2.596500    
 C    2.731600      -1.090300       1.736700    
 C   0.9325000      -2.993300      -2.370800    
 C  -0.3514000       3.162800      -1.282800    
 C    1.774300       3.869200     -0.3775000    
 C    4.001400      -1.023900       2.558300    
 C   0.6008000       4.160300      -1.073200    
 C   -4.467200     -0.1000000      -1.205500    
 C   -4.875000       1.485800      0.5527000    
 H   -1.601800      -1.974500       2.327500    
 H   -1.389600      -3.223400       1.106700    
 H   -3.673600      -2.358300       1.014100    
 H   -2.802000      -1.931600     -0.4552000    
 H    2.965300     -0.2821000      -1.911000    
 H  -0.7201000      -3.568600      -1.115700    
 H   -2.453800      0.4082000      0.4810000    
 H   -3.302500     -9.0800002E-02   1.939900    
 H  -0.8791000       1.113300     -0.9921000    
 H    2.926000       2.399200      0.6383000    
 H    2.626600      -2.204000      -3.451400    
 H    1.932300      -1.442300       2.396500    
 H    2.903600      -1.828100      0.9473000    
 H   0.7995000      -3.827600      -3.054400    
 H   -1.263100       3.388200      -1.828200    
 H    2.516000       4.645900     -0.2162000    
 H    4.840900     -0.6827000       1.943500    
 H    3.893500     -0.3042000       3.376700    
 H    4.248100      -2.002400       2.980000    
 H   0.4292000       5.163200      -1.453000    
 H   -3.606200      0.3971000      -1.667400    
 H   -5.373500      0.2991000      -1.677300    
 H   -4.456300      -1.161500      -1.470400    
 H   -4.145500       2.199500      0.1525000    
 H   -4.944100       1.633700       1.636200    
 H   -5.860400       1.731200      0.1410000    


%chk=000039280-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039280

0 1
O 2.685259 0.143536 1.064559
O -0.069023 0.157606 2.460605
N -0.427786 -1.460517 0.772438
N -4.540945 0.203943 0.132434
C 1.392082 0.073041 0.373105
C 1.315328 -1.007543 -0.699722
C 0.217991 -1.866149 -0.428654
C 0.228824 -0.365855 1.358759
C -1.631745 -2.082290 1.347383
C 1.085007 1.491374 -0.124435
C -2.935591 -1.678728 0.616345
C 2.129067 -1.232050 -1.817702
C -0.096897 -2.952285 -1.266418
C -3.250020 -0.174778 0.759780
C 0.306751 1.710730 -1.287808
C 1.519366 2.601083 0.641771
C 1.834853 -2.327969 -2.672429
C 3.074678 -1.086998 1.788264
C 0.732580 -3.171289 -2.396131
C -0.020891 3.025395 -1.688740
C 1.196557 3.913665 0.234791
C 4.439450 -0.810229 2.416522
C 0.424707 4.131889 -0.930337
C -4.495746 0.162621 -1.344187
C -5.013946 1.520003 0.615789
H -1.673132 -1.758435 2.403435
H -1.506288 -3.181717 1.330831
H -3.775165 -2.256030 1.048157
H -2.861777 -1.963254 -0.450357
H 2.976301 -0.568810 -2.022150
H -0.945178 -3.613079 -1.062300
H -2.403352 0.431678 0.346374
H -3.313380 0.068111 1.837449
H -0.033495 0.859570 -1.888118
H 2.111616 2.420445 1.542125
H 2.460843 -2.520062 -3.549989
H 2.318224 -1.312398 2.568105
H 3.123871 -1.939186 1.079041
H 0.512597 -4.010835 -3.065205
H -0.617977 3.184346 -2.593923
H 1.543543 4.766167 0.829602
H 5.185146 -0.569959 1.639089
H 4.377849 0.042082 3.114760
H 4.788714 -1.697093 2.976389
H 0.173219 5.151792 -1.242988
H -3.735774 0.864854 -1.776859
H -5.485847 0.436723 -1.749981
H -4.260300 -0.855571 -1.698299
H -4.329879 2.363808 0.344639
H -5.111250 1.499663 1.715631
H -6.009437 1.735684 0.187459


