%chk=000056108.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056108

0 1
 O   0.8809000      -2.047000       1.498000    
 O    2.273500      -3.528300      0.2042000    
 O    2.296700       1.754700      0.1705000    
 O   -3.320200     -0.9999000       1.320700    
 O    1.396800       2.160000       2.264500    
 O   -2.756700      -1.921200     -0.7269000    
 N   -1.909700       2.517900     -0.7304000    
 C  -0.5695000      0.2985000      0.4121000    
 C   1.3900000E-02   1.716000      0.3916000    
 C   0.2978000     -0.6235000     -0.3962000    
 C   -2.012600      0.2397000     -9.8800004E-02
 C  -0.6583000       2.742100     -0.1784000    
 C   -2.600800       1.319100     -0.6620000    
 C   0.9356000      -1.690500      0.1856000    
 C   0.4693000     -0.4069000      -1.758400    
 C    1.731100      -2.536300     -0.5530000    
 C    1.302100       1.907900       1.077600    
 C   -2.731200      -1.029300      0.1010000    
 C  -0.1612000       4.158400     -0.2857000    
 C   -3.989900       1.353300      -1.240000    
 C    1.282000      -1.271100      -2.513100    
 C    1.924700      -2.353200      -1.906800    
 C    1.730000      -3.212700       1.502300    
 C    3.621100       1.912400      0.6897000    
 C   -4.062900      -2.174200       1.664500    
 C    4.617600       1.714200     -0.4325000    
 H  -0.5940000     -1.4500000E-02   1.465300    
 H   -2.381700       3.307400      -1.157100    
 H  -1.1800000E-02  0.4232000      -2.268600    
 H  -0.8442000       4.838800      0.2341000    
 H  -0.1064000       4.460800      -1.337100    
 H   0.8337000       4.295700      0.1472000    
 H   -4.604600       2.083700     -0.7033000    
 H   -4.499600      0.3873000      -1.183100    
 H   -3.952500       1.642700      -2.295800    
 H    1.410800      -1.094000      -3.577400    
 H    2.552600      -3.021400      -2.485100    
 H    1.146600      -4.070300       1.856600    
 H    2.559500      -3.039700       2.197500    
 H    3.731500       2.918400       1.109900    
 H    3.795700       1.168600       1.475200    
 H   -4.485800      -2.029000       2.662200    
 H   -3.402900      -3.046700       1.686200    
 H   -4.881600      -2.325800      0.9544000    
 H    5.643100       1.826500     -6.9899999E-02
 H    4.505500      0.7187000     -0.8749000    
 H    4.444000       2.439300      -1.234300    


%chk=000056108-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056108

0 1
O 0.510641 -2.506425 1.422224
O 1.482543 -4.263337 0.131491
O 2.353152 2.568728 0.514641
O -2.430319 -1.463510 1.363676
O 1.927035 0.508812 1.517660
O -4.315943 -0.593658 0.321515
N -1.499867 2.359875 -1.296748
C -0.592581 0.168808 0.284311
C 0.248347 1.438817 0.051966
C -0.031197 -1.000814 -0.544018
C -2.079904 0.406165 -0.033810
C -0.197586 2.447399 -0.783643
C -2.469495 1.439835 -0.864632
C 0.487268 -2.161426 0.043343
C 0.017384 -0.960609 -1.970629
C 1.045602 -3.211660 -0.720571
C 1.542453 1.434839 0.750923
C -3.067577 -0.542668 0.520146
C 0.547556 3.694210 -1.214082
C -3.862676 1.752458 -1.364403
C 0.554771 -2.017235 -2.736187
C 1.089612 -3.181186 -2.114809
C 1.427488 -3.664469 1.493382
C 3.665058 2.560480 1.224651
C -3.299916 -2.483320 1.980693
C 4.390755 3.844019 0.830710
H -0.491062 -0.119967 1.343392
H -1.811863 3.105375 -1.920435
H -0.373600 -0.073039 -2.480528
H 0.749420 4.350336 -0.351126
H -0.035601 4.263107 -1.962296
H 1.529948 3.442552 -1.642171
H -4.251729 2.671541 -0.884231
H -4.550461 0.929453 -1.130952
H -3.849273 1.922751 -2.458898
H 0.571160 -1.942368 -3.828721
H 1.514184 -4.006605 -2.691770
H 1.018164 -4.406244 2.194370
H 2.440418 -3.311609 1.770703
H 3.475384 2.499411 2.311777
H 4.220626 1.652766 0.926323
H -2.613895 -3.107149 2.570510
H -3.809845 -3.076026 1.202273
H -4.059701 -2.005258 2.622726
H 5.373813 3.887261 1.334405
H 4.559108 3.884902 -0.259524
H 3.810204 4.734479 1.128473


