%chk=000175270.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175270

0 1
 O    3.110200      -1.350800      -1.074500    
 O    3.377900       2.262800     -0.4658000    
 O   -1.780100     -0.5212000       1.057800    
 N    1.024800     -0.1714000      0.3148000    
 N   -1.013300      0.7134000     -0.7613000    
 C    3.294400     -0.7902000      0.2308000    
 C    2.454800      -2.001000      2.3600001E-02
 C    2.384000      0.3230000      0.6256000    
 C   0.9982000      -1.643800      0.2159000    
 C    2.405400       1.561100     -0.2397000    
 C    2.494700      0.6789000       2.102300    
 C   0.3043000      0.7765000     -0.4140000    
 C   0.1567000      -2.211700     -0.9155000    
 C    1.049800       1.835100     -0.7791000    
 C   -1.976000      6.5899998E-02 -5.0000002E-04
 C   -3.319400      0.1378000     -0.6457000    
 C   -4.496800      0.1125000      4.9999999E-03
 C   -5.784500      0.1930000     -0.7739000    
 C   -4.685400      2.9899999E-02   1.494000    
 H    4.261400     -0.8454000      0.7015000    
 H    2.777400      -2.976900      0.3439000    
 H   0.6600000      -2.054900       1.173800    
 H    1.776900       1.456800       2.387400    
 H    2.307400     -0.1936000       2.738600    
 H    3.497300       1.053600       2.337800    
 H   0.3608000      -1.713200      -1.869400    
 H   0.3835000      -3.275300      -1.056200    
 H  -0.9133000      -2.150600     -0.7159000    
 H   0.7717000       2.703500      -1.350500    
 H   -1.323900       1.332800      -1.506700    
 H   -3.311200      0.2301000      -1.729800    
 H   -5.617400      0.2340000      -1.855500    
 H   -6.405500     -0.6852000     -0.5682000    
 H   -6.344800       1.090100     -0.4906000    
 H   -3.786700      0.2801000       2.061400    
 H   -5.009000     -0.9764000       1.777800    
 H   -5.455100      0.7400000       1.816700    


%chk=000175270-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000175270

0 1
O 3.013463 -1.556594 -1.023009
O 3.596997 2.295675 -0.559360
O -1.798555 -0.429317 1.114262
N 1.030541 -0.123841 0.347549
N -0.989287 0.686638 -0.787535
C 3.295616 -0.849391 0.280670
C 2.400637 -2.047901 0.278749
C 2.436598 0.377322 0.547991
C 0.929317 -1.622908 0.400011
C 2.542482 1.603951 -0.423494
C 2.675319 0.879751 1.993151
C 0.377191 0.773313 -0.477430
C 0.097606 -2.282788 -0.718183
C 1.205354 1.809785 -0.936410
C -2.037605 0.175301 0.025275
C -3.376598 0.436586 -0.562934
C -4.594013 0.122508 -0.011877
C -5.868608 0.464812 -0.759692
C -4.791011 -0.556557 1.326042
H 4.340316 -0.856720 0.603950
H 2.710850 -3.049526 0.592889
H 0.525102 -1.918920 1.387266
H 1.910985 1.626788 2.265124
H 2.628940 0.050097 2.721372
H 3.668436 1.360431 2.043927
H 0.456827 -1.959479 -1.709402
H 0.228048 -3.378291 -0.648718
H -0.975346 -2.071222 -0.615209
H 0.888668 2.667763 -1.528597
H -1.269259 1.246585 -1.595813
H -3.380120 0.933373 -1.544431
H -5.674311 0.936544 -1.737570
H -6.475878 -0.446367 -0.925508
H -6.496224 1.152458 -0.159670
H -3.839182 -0.737373 1.843083
H -5.313100 -1.523609 1.182306
H -5.450994 0.060422 1.967123


