%chk=000028385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028385

0 1
 O    1.118400     -0.1598000       1.426600    
 N    4.338500     -0.3633000     -0.3354000    
 C  -0.2496000     -5.9300002E-02   1.027900    
 C   -2.597400      0.1135000     -0.4604000    
 C   -1.148100     -2.2100000E-02   2.294000    
 C   -3.370100      0.1248000      0.8776000    
 C  -0.4493000       1.215800      0.2049000    
 C  -0.6253000      -1.279800      0.1858000    
 C   -2.570500      0.5431000       2.125400    
 C   -1.646100       1.295300     -0.5508000    
 C   -1.814200      -1.183200     -0.5664000    
 C   0.4431000       2.290300      0.1892000    
 C   0.1143000      -2.466000      0.1446000    
 C   -1.929600       2.431400      -1.309600    
 C   -2.247100      -2.256500      -1.349200    
 C    1.979900     -0.2094000      0.3009000    
 C   0.1551000       3.421000     -0.5781000    
 C  -0.3202000      -3.534000     -0.6433000    
 C   -1.023800       3.490900      -1.324100    
 C   -1.495600      -3.429400      -1.388000    
 C    3.417400     -0.2927000      0.7890000    
 C    5.720800     -0.4857000      0.1340000    
 C    4.199200      0.8150000      -1.194600    
 H   -3.311400      0.1569000      -1.292800    
 H  -0.6469000      0.5782000       3.066600    
 H   -1.212900      -1.031000       2.724600    
 H   -3.823900     -0.8588000       1.056800    
 H   -4.208600      0.8285000      0.7856000    
 H   -2.503400       1.639700       2.135400    
 H   -3.156500      0.2900000       3.018100    
 H    1.329800       2.317000      0.8166000    
 H   0.9880000      -2.624400      0.7710000    
 H   -2.848600       2.500300      -1.884100    
 H   -3.165600      -2.187800      -1.924700    
 H    1.834200      -1.063200     -0.3595000    
 H    1.882200      0.6502000     -0.3486000    
 H   0.8433000       4.262000     -0.5787000    
 H   0.2490000      -4.459200     -0.6605000    
 H   -1.239800       4.379500      -1.910600    
 H   -1.829900      -4.267700      -1.992400    
 H    3.635100      0.5630000       1.442700    
 H    3.517400      -1.187700       1.416900    
 H    6.037000      0.3860000      0.7185000    
 H    6.407000     -0.6031000     -0.7121000    
 H    5.837600      -1.379900      0.7565000    
 H    4.213700       1.753500     -0.6284000    
 H    3.294300      0.7701000      -1.808500    
 H    5.021000      0.8566000      -1.920400    


%chk=000028385-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028385

0 1
O 1.158857 -0.351611 1.235264
N 4.627663 -0.187919 -0.161128
C -0.256683 -0.187928 0.847751
C -2.732108 0.129139 -0.454975
C -1.035025 -0.163726 2.207845
C -3.376290 0.121385 0.988865
C -0.505542 1.140864 0.107147
C -0.775850 -1.371823 0.012845
C -2.415992 0.544937 2.136547
C -1.748245 1.286059 -0.568470
C -2.004624 -1.192086 -0.671607
C 0.392986 2.228956 0.158698
C -0.143159 -2.634075 -0.004538
C -2.052634 2.497320 -1.226378
C -2.553793 -2.253220 -1.423159
C 2.150841 -0.420619 0.137629
C 0.082854 3.442406 -0.498416
C -0.698785 -3.698620 -0.751465
C -1.136000 3.574530 -1.202471
C -1.897286 -3.505101 -1.475901
C 3.484380 0.030758 0.753648
C 5.921811 -0.161387 0.550417
C 4.623987 0.723725 -1.324083
H -3.546314 0.237463 -1.195094
H -0.396662 0.376480 2.931975
H -1.138348 -1.204394 2.566107
H -3.783711 -0.890562 1.177349
H -4.232668 0.823789 0.995184
H -2.242037 1.634585 2.057865
H -2.936560 0.383871 3.100737
H 1.324385 2.127124 0.725429
H 0.767941 -2.786902 0.581980
H -3.010761 2.602219 -1.750044
H -3.500219 -2.105718 -1.957796
H 2.254392 -1.454971 -0.238391
H 1.836786 0.226192 -0.702980
H 0.787751 4.280552 -0.458409
H -0.198885 -4.673600 -0.766581
H -1.375223 4.510987 -1.718897
H -2.323668 -4.324958 -2.064887
H 3.399453 1.100131 1.080769
H 3.648517 -0.571037 1.666558
H 6.159731 0.833400 1.007828
H 6.736236 -0.413664 -0.152535
H 5.920104 -0.916547 1.356217
H 4.706748 1.803241 -1.033590
H 3.698223 0.598311 -1.910388
H 5.475329 0.480642 -1.984474


