%chk=000071452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071452

0 1
 O    3.282500      0.9667000      -1.000600    
 O   -2.082200      -1.955100       1.250600    
 O   -3.929100     -0.1073000      -1.235100    
 O   0.4204000      -3.295000     -0.4227000    
 O    2.004300      -2.514300       1.030400    
 N  -0.7712000     -0.8334000     -0.3603000    
 C   -1.058300      0.5964000     -0.6296000    
 C   0.2992000       1.288300     -0.4317000    
 C   -2.236400      0.4403000      0.3796000    
 C    1.236100      0.1348000     -0.1519000    
 C   0.3405000       2.286900      0.7190000    
 C   -1.776900      -1.025600      0.5382000    
 C   0.5595000      -1.018500     -0.1208000    
 C    2.656200      0.4586000      0.1749000    
 C    1.784200       2.723900      0.9994000    
 C   -3.683800      0.5904000     -1.2300000E-02
 C    2.700100       1.521300       1.284300    
 C    1.089300      -2.325300      0.2417000    
 C   -4.087900       2.050500     -0.1983000    
 C    3.253600      1.6200000E-02  -2.054800    
 H   -1.402300      0.7261000      -1.665900    
 H   0.6000000       1.780700      -1.365300    
 H   -2.068800      0.9849000       1.319300    
 H  -6.9100000E-02   1.849300       1.637200    
 H  -0.2786000       3.159600      0.4817000    
 H    3.223300     -0.4135000      0.5152000    
 H    2.170500       3.284500      0.1394000    
 H    1.800300       3.405100       1.857700    
 H   -4.324900      0.1426000      0.7560000    
 H    3.726500       1.888100       1.403800    
 H    2.399600       1.066200       2.236700    
 H   -3.505400       2.515400      -1.001400    
 H   -5.142600       2.127600     -0.4825000    
 H   -3.926300       2.625000      0.7189000    
 H   -4.875400     -1.6200000E-02  -1.439900    
 H    2.263200     -4.6799999E-02  -2.515100    
 H    3.589100     -0.9705000      -1.718700    
 H    3.946600      0.3592000      -2.829100    
 H   0.7538000      -4.190300     -0.2002000    


%chk=000071452-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071452

0 1
O 3.183288 1.147127 -1.130841
O -2.355286 -1.898317 1.534447
O -3.833413 -0.053907 -1.400365
O 0.274966 -3.482086 0.141770
O 2.402210 -2.635475 0.551691
N -0.845864 -0.955238 -0.160387
C -1.141881 0.477043 -0.562631
C 0.199300 1.232908 -0.308567
C -2.363588 0.454029 0.427053
C 1.205625 0.087609 -0.118737
C 0.317945 2.175058 0.925864
C -1.949279 -1.019749 0.756855
C 0.565906 -1.127659 0.002282
C 2.657403 0.448007 0.069411
C 1.784647 2.649904 1.083007
C -3.769875 0.698086 -0.129621
C 2.769229 1.463060 1.233921
C 1.192357 -2.439098 0.261859
C -4.071679 2.191656 -0.356498
C 3.359831 0.246759 -2.274485
H -1.459726 0.529522 -1.614954
H 0.471473 1.827659 -1.200710
H -2.204705 1.088480 1.317736
H 0.001704 1.636299 1.842362
H -0.359127 3.042438 0.800028
H 3.267103 -0.452628 0.274047
H 2.073471 3.241803 0.193607
H 1.872912 3.315976 1.962346
H -4.496165 0.273235 0.597375
H 3.812391 1.827272 1.264337
H 2.573568 0.924632 2.181880
H -3.353880 2.626002 -1.075352
H -5.090246 2.332307 -0.763893
H -4.007815 2.757705 0.591631
H -4.773047 -0.105542 -1.705985
H 2.391918 -0.157776 -2.636430
H 4.025264 -0.602923 -2.016754
H 3.823872 0.853873 -3.067969
H 0.728791 -4.341252 0.358470


