%chk=000169510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169510

0 1
 O  -0.5993000       1.042300      0.1371000    
 O    1.957100     -0.3580000      -1.957900    
 O  -9.8600000E-02   1.329400      -2.094200    
 N   -4.736000      0.5029000      0.4788000    
 C    2.302400      0.6018000      0.1939000    
 C    3.542000     -0.2724000      0.4274000    
 C    2.695900       1.959300     -0.4040000    
 C    1.299200     -0.1146000     -0.7082000    
 C    4.583800      0.4439000       1.283600    
 C    3.739300       2.671800      0.4535000    
 C    4.966000       1.796500      0.6908000    
 C   -1.980800       1.312000     -6.3600004E-02
 C   0.1319000      0.8321000     -0.9985000    
 C   0.7889000      -1.465400     -0.2144000    
 C   -2.644200       1.540600       1.290800    
 C   -2.642000      0.1407000     -0.7846000    
 C   -4.160100       1.676100       1.151800    
 C   -4.157800      0.3195000     -0.8603000    
 C   0.5254000      -2.453100      -1.138500    
 C   0.6089000      -1.651200       1.139100    
 C   -6.191300      0.6240000      0.3955000    
 C   5.9200000E-02  -3.687800     -0.6867000    
 C   0.1425000      -2.885900       1.590700    
 C  -0.1322000      -3.904400      0.6780000    
 H    1.852200      0.8201000       1.171400    
 H    4.009500     -0.5409000     -0.5284000    
 H    3.286800      -1.212900      0.9254000    
 H    1.829800       2.624900     -0.4874000    
 H    3.102500       1.834900      -1.415500    
 H    5.478300     -0.1824000       1.376900    
 H    4.187500      0.5873000       2.296400    
 H    3.294100       2.945700       1.418100    
 H    4.042400       3.605300     -3.4100000E-02
 H    5.661700       2.310700       1.363100    
 H    5.493400       1.642600     -0.2587000    
 H   -2.082800       2.228600     -0.6599000    
 H   -2.226300       2.438900       1.761200    
 H   -2.400800      0.7108000       1.968200    
 H   -2.404700     -0.7973000     -0.2649000    
 H   -2.251700      2.3200000E-02  -1.801300    
 H   -4.398900       2.597400      0.6041000    
 H   -4.587800       1.774300       2.156900    
 H   -4.584600     -0.5760000      -1.328100    
 H   -4.396400       1.172200      -1.509700    
 H    1.305600     -0.2980000      -2.677400    
 H   0.6433000      -2.318000      -2.208100    
 H   0.7924000     -0.8772000       1.875000    
 H   -6.628200      0.7100000       1.396600    
 H   -6.626500     -0.2724000     -6.0100000E-02
 H   -6.501600       1.495400     -0.1925000    
 H  -0.1595000      -4.479400      -1.397500    
 H  -1.1800000E-02  -3.052900       2.652800    
 H  -0.4975000      -4.864800       1.029600    


%chk=000169510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169510

0 1
O -0.724368 0.549648 -0.054137
O 2.094761 -0.395824 -2.179641
O -0.416767 0.480428 -2.361768
N -4.853679 1.230445 0.735185
C 2.189741 0.410070 0.137752
C 3.575070 -0.240308 0.382533
C 2.353276 1.887921 -0.297295
C 1.364249 -0.409346 -0.910794
C 4.397418 0.566002 1.415191
C 3.178524 2.695446 0.732562
C 4.557900 2.043003 0.985974
C -2.114204 1.111189 -0.236609
C -0.011612 0.251871 -1.190858
C 1.117289 -1.869191 -0.451375
C -2.460842 1.845554 1.060888
C -3.105201 -0.028315 -0.520246
C -3.918661 2.351865 0.988173
C -4.542261 0.537085 -0.537228
C 1.605406 -2.939692 -1.237626
C 0.430862 -2.157097 0.756739
C -6.266259 1.651184 0.813136
C 1.407578 -4.277898 -0.828232
C 0.235973 -3.494648 1.165705
C 0.721840 -4.561916 0.374439
H 1.616078 0.385148 1.087311
H 4.119176 -0.284870 -0.581001
H 3.448876 -1.282400 0.731683
H 1.360095 2.362833 -0.429296
H 2.859243 1.907861 -1.281859
H 5.390838 0.095729 1.550846
H 3.888573 0.527986 2.401565
H 2.619850 2.749335 1.690763
H 3.305302 3.737034 0.377794
H 5.114923 2.609994 1.757410
H 5.158531 2.088167 0.054117
H -2.076312 1.806122 -1.098040
H -1.770637 2.694036 1.220304
H -2.360181 1.149781 1.913379
H -3.021634 -0.787925 0.278040
H -2.876840 -0.505652 -1.489452
H -3.999508 3.140548 0.191995
H -4.191476 2.828391 1.947447
H -5.261148 -0.291683 -0.671324
H -4.661549 1.223744 -1.418074
H 1.434221 -0.167232 -2.893153
H 2.148757 -2.703685 -2.156906
H 0.037151 -1.339996 1.370272
H -6.469042 2.094021 1.804680
H -6.923321 0.771547 0.691926
H -6.549291 2.403757 0.033671
H 1.793123 -5.096655 -1.446657
H -0.297396 -3.703722 2.100188
H 0.568164 -5.599494 0.692104


