%chk=000126826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126826

0 1
 O   -2.734500       1.525600     -0.9662000    
 O   -3.633000       3.546800     -0.3609000    
 O   -2.706100      -3.951300      0.7743000    
 O    4.834600      -2.214800      0.2565000    
 O    5.991100     -0.4497000     -0.5883000    
 N   3.3700000E-02   1.867200      0.2709000    
 C   -1.187400       1.266900      0.7740000    
 C   -1.901400      0.5286000     -0.3472000    
 C   -2.170200       2.354400       1.158500    
 C   -2.924400       2.582200     -0.1188000    
 C   -2.767800     -0.5925000      0.1304000    
 C    1.230700       1.184900      0.1642000    
 C   -2.674500      -1.852500     -0.3196000    
 C   -3.545200      -2.974900      0.1628000    
 C    2.386200       1.819600     -0.3340000    
 C    1.332900     -0.1666000      0.5505000    
 C    3.594400       1.131000     -0.4418000    
 C    2.541100     -0.8552000      0.4429000    
 C   -4.303800      -3.619500     -0.9898000    
 C    3.671900     -0.2063000     -5.3399999E-02
 C    4.931800     -0.9240000     -0.1650000    
 H  -0.9787000      0.6534000       1.657500    
 H   -1.204200      0.1711000      -1.114100    
 H   -1.684300       3.276000       1.490500    
 H   -2.879800       2.006200       1.915600    
 H  -3.3000000E-03   2.811200     -9.8600000E-02
 H   -3.522100     -0.3562000      0.8776000    
 H   -1.922200      -2.095900      -1.066600    
 H   -4.262900      -2.633600      0.9173000    
 H    2.343800       2.862400     -0.6414000    
 H   0.4829000     -0.7230000      0.9341000    
 H    4.463800       1.654500     -0.8307000    
 H    2.557200      -1.895900      0.7545000    
 H   -4.964100      -2.902000      -1.487300    
 H   -4.910300      -4.455100     -0.6234000    
 H   -3.615900      -4.037600      -1.734000    
 H   -2.268700      -3.531200       1.534800    
 H    5.689400      -2.689700      0.1777000    


%chk=000126826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126826

0 1
O -2.738240 1.585601 -1.078279
O -3.648686 3.667090 -0.575011
O -2.747110 -4.057814 0.854278
O 4.896388 -2.324049 0.078217
O 6.059322 -0.433856 -0.611746
N 0.063671 1.917931 0.393075
C -1.215739 1.342503 0.804094
C -1.920119 0.539812 -0.359680
C -2.238927 2.454499 1.103742
C -2.962903 2.694664 -0.229920
C -2.819340 -0.571013 0.109510
C 1.239060 1.183438 0.237650
C -2.669155 -1.869365 -0.260549
C -3.561982 -2.998320 0.207106
C 2.426520 1.848439 -0.201312
C 1.300800 -0.217311 0.515327
C 3.625565 1.142523 -0.347850
C 2.511556 -0.914948 0.369859
C -4.280028 -3.696932 -0.954821
C 3.688238 -0.250378 -0.062664
C 4.976521 -0.949921 -0.232878
H -1.056852 0.677334 1.671424
H -1.182344 0.179853 -1.094053
H -1.790829 3.387615 1.480912
H -2.983711 2.126392 1.850600
H 0.072914 2.893995 0.093209
H -3.640985 -0.287207 0.785539
H -1.860341 -2.163221 -0.947297
H -4.310742 -2.605004 0.929016
H 2.393323 2.922590 -0.421353
H 0.408874 -0.761835 0.841144
H 4.536281 1.649455 -0.683361
H 2.557435 -1.986568 0.583995
H -4.950908 -2.993880 -1.477806
H -4.874941 -4.542376 -0.568612
H -3.545183 -4.093441 -1.676899
H -2.231811 -3.656119 1.600203
H 5.795110 -2.725675 -0.061309


