%chk=000048462.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048462

0 1
 O   0.1761000      0.1409000      -2.307500    
 O    2.124300       1.505600       1.741200    
 O    3.364600      -2.438500     -0.2494000    
 N    1.697600      -1.193300      -1.227200    
 N    2.670300     -0.5121000      0.7957000    
 C   0.6531000      0.6463000      1.5600000E-02
 C  -0.4902000     -2.9700000E-02  0.7934000    
 C   -1.780100     -3.7000000E-03 -5.3100001E-02
 C   -3.012500     -0.7041000      0.5622000    
 C   0.2684000       2.101200     -0.2896000    
 C  -0.6680000      0.6583000       2.147400    
 C   0.8193000     -0.1220000      -1.291700    
 C    1.882500      0.6227000      0.9184000    
 C   -4.239600     -0.6146000     -0.3712000    
 C   -2.733700      -2.179100      0.8723000    
 C    1.319500       2.770500      -1.146200    
 C    2.617600      -1.459000     -0.2200000    
 C   -4.669200      0.8107000     -0.6904000    
 H  -0.2198000      -1.075600      0.9860000    
 H   -2.081800       1.030200     -0.2254000    
 H   -1.629800     -0.4741000      -1.027300    
 H   -3.280800     -0.2043000       1.500600    
 H   0.1581000       2.704400      0.6173000    
 H  -0.6629000       2.196600     -0.8528000    
 H   -1.460100      0.1563000       2.714700    
 H  -0.9734000       1.704700       2.069200    
 H   0.2091000      0.5842000       2.793900    
 H   -5.085800      -1.125900      0.1049000    
 H   -4.039600      -1.145900      -1.309800    
 H   -3.639500      -2.679600       1.231900    
 H   -2.383900      -2.712600     -1.7899999E-02
 H   -1.978200      -2.286800       1.656200    
 H    2.308100       2.758600     -0.6773000    
 H    1.410300       2.326000      -2.140800    
 H    1.052200       3.822800      -1.297500    
 H    1.727300      -1.805600      -2.037600    
 H    3.417000     -0.6221000       1.476100    
 H   -4.785800       1.402600      0.2227000    
 H   -3.952000       1.312800      -1.346200    
 H   -5.632000      0.8011000      -1.212100    


%chk=000048462-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048462

0 1
O 0.252910 0.366265 -2.431776
O 2.312930 1.347300 1.748979
O 3.079099 -2.699825 -0.395031
N 1.543632 -1.202934 -1.333633
N 2.589267 -0.701157 0.719554
C 0.695887 0.758834 -0.030261
C -0.537302 0.071779 0.776375
C -1.820235 -0.035019 -0.093956
C -3.023365 -0.737252 0.598589
C 0.467556 2.273854 -0.277449
C -0.822753 0.813793 2.104467
C 0.815994 0.008184 -1.366476
C 1.929300 0.539291 0.864703
C -4.258568 -0.763273 -0.346566
C -2.673581 -2.177433 1.047435
C 1.616962 2.971209 -1.037581
C 2.438945 -1.621040 -0.333035
C -4.824234 0.625473 -0.719004
H -0.197651 -0.956799 1.016833
H -2.125280 0.984708 -0.395583
H -1.606412 -0.587658 -1.029492
H -3.311231 -0.150896 1.496405
H 0.336091 2.760192 0.703847
H -0.469678 2.391636 -0.848754
H -1.441788 0.176371 2.759995
H -1.383792 1.748465 1.924750
H 0.098176 1.067904 2.655438
H -5.056549 -1.352257 0.149431
H -3.993757 -1.317030 -1.271423
H -3.559751 -2.678035 1.479710
H -2.331932 -2.784640 0.186508
H -1.877180 -2.199897 1.813848
H 2.568020 2.902435 -0.480061
H 1.756046 2.539658 -2.044247
H 1.386746 4.044005 -1.165999
H 1.513424 -1.787581 -2.175358
H 3.320932 -0.922299 1.402834
H -5.044883 1.219488 0.188567
H -4.120997 1.206438 -1.341985
H -5.764299 0.525644 -1.291900


