%chk=000100174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100174

0 1
 O   0.6215000      -2.031900      -1.813200    
 O    4.796500      -1.505300      0.4315000    
 O    3.317900      -2.478700      -1.692000    
 O   -5.226000      -1.422200     -7.6800004E-02
 O   -4.342900      0.6408000      -1.723200    
 O   0.8014000       4.476800     -7.4000001E-02
 N   0.5805000       2.187600     -0.4312000    
 C  -0.3931000       1.920500      0.6087000    
 C   0.2694000       1.809400       2.000100    
 C   0.7746000      0.4357000       2.455600    
 C   -1.310100      0.7758000      0.1689000    
 C    1.446100     -0.3536000       1.364500    
 C   0.6851000     -0.8571000      0.2898000    
 C  -0.7826000     -0.5964000      0.2365000    
 C    2.828200     -0.5810000       1.398400    
 C    1.325200      -1.567900     -0.7378000    
 C   -2.516900       1.111500     -0.3245000    
 C   -1.536100      -1.707600      0.3477000    
 C    3.451000      -1.297200      0.3764000    
 C    2.701500      -1.788300     -0.6901000    
 C   -3.605200      0.2398000     -0.8254000    
 C    1.091200       3.447700     -0.6787000    
 C   -2.968700      -1.832600      0.4075000    
 C   -3.896100      -1.037000     -0.1320000    
 C    2.101900       3.439900      -1.794200    
 C    5.629700     -0.5208000     -0.1771000    
 C   -5.843800     -0.9080000       1.084400    
 H  -0.9953000       2.838800      0.6718000    
 H  -0.4530000       2.148800       2.755100    
 H    1.106600       2.518300       2.055700    
 H  -5.7799999E-02 -0.1542000       2.861400    
 H    1.458500      0.5745000       3.302700    
 H   0.9165000       1.414500     -0.9980000    
 H    3.423600     -0.1954000       2.222800    
 H   -2.766400       2.167800     -0.4217000    
 H   -1.045000      -2.676900      0.4510000    
 H   -3.303700      -2.754300      0.8825000    
 H    1.237200      -2.487700      -2.413000    
 H    2.393100       4.465700      -2.035900    
 H    2.987800       2.879500      -1.482300    
 H    1.672400       2.976300      -2.686900    
 H    4.260500      -2.571900      -1.471300    
 H    6.668900     -0.8489000     -8.8000000E-02
 H    5.388100     -0.4082000      -1.238700    
 H    5.520900      0.4402000      0.3356000    
 H   -6.892300      -1.221000       1.080300    
 H   -5.379100      -1.303900       1.994300    
 H   -5.820500      0.1875000       1.097300    


%chk=000100174-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100174

0 1
O 0.688088 -1.874968 -2.014293
O 5.008608 -1.492811 -0.046424
O 3.355307 -2.329150 -2.047844
O -5.136657 -1.620561 0.307135
O -4.903986 1.224119 0.242915
O 0.053351 4.400146 -0.935943
N 0.665557 2.179744 -0.569744
C -0.218027 2.014029 0.604465
C 0.566758 1.942036 1.952403
C 1.025977 0.515182 2.358887
C -1.202736 0.836127 0.423758
C 1.660631 -0.244925 1.207929
C 0.824216 -0.699601 0.139380
C -0.663734 -0.489834 0.174534
C 3.056686 -0.481490 1.196501
C 1.442185 -1.409587 -0.930649
C -2.549474 1.198246 0.497790
C -1.447708 -1.640240 -0.018870
C 3.646292 -1.177385 0.120246
C 2.834793 -1.636073 -0.938065
C -3.831927 0.512258 0.335925
C 0.716476 3.372657 -1.277951
C -2.848934 -1.852749 0.046359
C -3.913487 -0.970368 0.268544
C 1.627199 3.364086 -2.503078
C 5.937106 -1.058185 1.001637
C -6.363380 -1.010643 0.879133
H -0.795646 2.954769 0.620708
H -0.079766 2.344390 2.756091
H 1.436900 2.618820 1.862395
H 0.144885 -0.046118 2.725352
H 1.732477 0.591535 3.205549
H 1.220305 1.381374 -0.882265
H 3.662845 -0.122215 2.033198
H -2.741467 2.271735 0.638498
H -0.879062 -2.555952 -0.217076
H -3.172350 -2.894977 -0.073348
H 1.303424 -2.303467 -2.668258
H 1.013377 3.533874 -3.404920
H 2.339882 4.203139 -2.429807
H 2.188577 2.421743 -2.627715
H 4.335574 -2.430987 -1.939115
H 6.929497 -1.398925 0.673103
H 5.931279 0.043698 1.100557
H 5.681498 -1.524220 1.971821
H -7.081530 -1.845242 0.887320
H -6.173524 -0.653903 1.906227
H -6.705153 -0.169732 0.261505


