%chk=000044957.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044957

0 1
 O   -1.419200     -0.3093000     -0.7564000    
 O   -1.827600      0.1720000       1.470900    
 N    3.151200       1.030500     -3.8500000E-02
 N   -3.528000      0.4148000     -9.7300000E-02
 C    2.151400      3.5799999E-02 -3.6499999E-02
 C   0.8449000      0.3592000     -0.4026000    
 C  -0.1086000     -0.6334000     -0.3906000    
 C    2.469000      -1.271500      0.3320000    
 C   0.1738000      -1.931900     -3.1900000E-02
 C    1.480400      -2.255300      0.3344000    
 C    4.532500      0.6823000     -0.3055000    
 C    2.808300       2.416300      0.2127000    
 C   -2.226500      0.1000000      0.3091000    
 C   -4.511500      0.8611000      0.8790000    
 C   -3.990100      0.3294000      -1.478800    
 H   0.5665000       1.363600     -0.7061000    
 H    3.473500      -1.554200      0.6341000    
 H  -0.5959000      -2.697000     -2.9999999E-02
 H    1.726600      -3.272800      0.6239000    
 H    5.113500       1.564300     -0.5976000    
 H    5.005300      0.2582000      0.5866000    
 H    4.613300     -3.4800000E-02  -1.130200    
 H    2.085100       2.509100       1.031000    
 H    3.691400       2.994500      0.5069000    
 H    2.394200       2.882900     -0.6872000    
 H   -5.356700      0.1666000      0.8702000    
 H   -4.855700       1.861200      0.5999000    
 H   -4.092200      0.8980000       1.887500    
 H   -4.327800       1.320600      -1.795200    
 H   -4.828500     -0.3719000      -1.523300    
 H   -3.210100     -1.1100000E-02  -2.162200    


%chk=000044957-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044957

0 1
O -1.543183 -0.488242 -0.348295
O -1.633147 1.765423 0.405999
N 3.161642 0.972316 0.270924
N -3.569214 0.545953 -0.099222
C 2.212101 -0.000372 -0.063968
C 0.815799 0.314332 -0.011647
C -0.124496 -0.674792 -0.353950
C 2.607798 -1.316657 -0.462643
C 0.255178 -1.977426 -0.750075
C 1.632156 -2.276885 -0.796914
C 4.590926 0.650417 0.211015
C 2.728201 2.312229 0.687155
C -2.200996 0.706837 0.021894
C -4.440704 1.678261 0.248321
C -4.234031 -0.687476 -0.544897
H 0.461830 1.298807 0.287585
H 3.664543 -1.591268 -0.510965
H -0.509949 -2.714222 -1.007210
H 1.952317 -3.280282 -1.100080
H 5.178604 1.538542 0.492537
H 4.861630 -0.171059 0.906916
H 4.902881 0.345895 -0.809529
H 2.094120 2.277138 1.596284
H 3.612799 2.929070 0.912257
H 2.147251 2.823685 -0.107166
H -5.128907 1.399098 1.069588
H -5.044427 1.985617 -0.627483
H -3.815753 2.523578 0.571494
H -4.858965 -0.483230 -1.436253
H -4.889902 -1.082380 0.255907
H -3.483602 -1.445709 -0.799278


