%chk=000178283.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178283

0 1
 O  -0.5782000       3.716000     -0.6485000    
 N  -0.7940000       1.705200      0.5259000    
 N   -2.665600       2.724900     -0.5694000    
 C   -3.119200      -3.453700      7.6700002E-02
 C   0.2949000       1.922300       1.444200    
 C   -2.509800      -2.097400      0.1951000    
 C   -1.391400      0.3809000      0.4106000    
 C    1.477100       1.067100       1.133600    
 C   -1.953100      -1.686500       1.406100    
 C   -2.494500      -1.241100     -0.9058000    
 C   -1.381100     -0.4191000       1.516400    
 C   -1.922600      2.6400000E-02 -0.7955000    
 C    1.918900      0.9401000     -0.1836000    
 C    3.030700      0.1394000     -0.4926000    
 C   -2.393800      -4.337000     -0.9559000    
 C   -4.623600      -3.396700     -0.2496000    
 C   -1.290400       2.778000     -0.2703000    
 C    2.139400      0.3977000       2.158400    
 C    3.703900     -0.5416000      0.5495000    
 C    3.245700     -0.4019000       1.869700    
 C    3.489200     -1.9999999E-04  -1.812800    
 C    4.815700      -1.342200      0.2408000    
 C    4.595300     -0.7999000      -2.101300    
 C    5.257300      -1.469700      -1.076500    
 C   -3.220600       3.317400      -1.778500    
 C   -3.630500       2.071600      0.3132000    
 H   -3.029900      -3.968100       1.043300    
 H  -6.7699999E-02   1.787900       2.469600    
 H   0.6153000       2.970600       1.391900    
 H   -1.961400      -2.339400       2.274900    
 H   -2.908600      -1.546500      -1.862700    
 H  -0.9830000     -0.1274000       2.480400    
 H   -1.863700      0.6345000      -1.691500    
 H    1.411000       1.473900     -0.9847000    
 H   -2.804300      -5.352500     -0.9479000    
 H   -1.324400      -4.404800     -0.7269000    
 H   -2.494800      -3.944900      -1.973600    
 H   -5.057700      -4.402400     -0.2364000    
 H   -4.811900      -2.965200      -1.238600    
 H   -5.159000      -2.789500      0.4887000    
 H    1.806600      0.4888000       3.188900    
 H    3.748000     -0.9161000       2.686500    
 H    2.987100      0.5138000      -2.629800    
 H    5.348400      -1.874800       1.025800    
 H    4.939700     -0.8997000      -3.126600    
 H    6.118400      -2.092100      -1.301800    
 H   -3.897600       4.128500      -1.496800    
 H   -3.769600       2.550500      -2.332300    
 H   -2.423400       3.715600      -2.411800    
 H   -3.224400       1.827800       1.296600    
 H   -4.096000       1.212700     -0.1753000    
 H   -4.431900       2.796800      0.5004000    


%chk=000178283-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178283

0 1
O -0.278504 3.428400 -0.676158
N -0.989146 1.644855 0.686391
N -2.531856 2.815531 -0.730228
C -3.337455 -3.697835 0.425185
C 0.250155 1.796475 1.513317
C -2.739295 -2.290200 0.488064
C -1.594224 0.340068 0.615163
C 1.429342 0.951778 1.038147
C -2.441315 -1.676799 1.729927
C -2.447827 -1.555862 -0.691657
C -1.882841 -0.382235 1.799894
C -1.877234 -0.269338 -0.635749
C 2.107709 1.272886 -0.144843
C 3.218886 0.490539 -0.596596
C -2.373731 -4.694559 -0.273906
C -4.728022 -3.702851 -0.264018
C -1.221145 2.663757 -0.277224
C 1.859173 -0.179911 1.807518
C 3.647147 -0.652218 0.187280
C 2.939261 -0.961795 1.394158
C 3.928244 0.806000 -1.804411
C 4.762589 -1.431761 -0.267320
C 5.010654 0.028932 -2.222432
C 5.431657 -1.100412 -1.447430
C -2.770128 3.685558 -1.892764
C -3.729295 2.348999 -0.014655
H -3.479499 -4.046216 1.468464
H 0.001936 1.542533 2.559959
H 0.511761 2.866584 1.470839
H -2.655165 -2.218358 2.660061
H -2.648502 -2.001565 -1.673566
H -1.682284 0.069375 2.777759
H -1.634361 0.265503 -1.560048
H 1.770613 2.138535 -0.728388
H -2.799334 -5.715412 -0.270426
H -1.392873 -4.724088 0.233392
H -2.199061 -4.404998 -1.326905
H -5.159797 -4.721071 -0.261689
H -4.650018 -3.373154 -1.316874
H -5.432589 -3.025412 0.251355
H 1.323145 -0.430070 2.731455
H 3.259280 -1.824792 1.990597
H 3.604501 1.671401 -2.394945
H 5.083904 -2.295273 0.327970
H 5.544428 0.279212 -3.146018
H 6.282684 -1.701521 -1.786808
H -3.265595 4.629570 -1.589559
H -3.416106 3.169941 -2.629226
H -1.803592 3.937130 -2.353212
H -3.474553 2.071008 1.018808
H -4.195502 1.471229 -0.503522
H -4.471321 3.169907 0.015074


