%chk=000097400.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097400

0 1
 O   0.9336000       2.667200      0.9724000    
 O    3.982000      -2.130100      0.6625000    
 O    2.683100       3.213900     -0.4158000    
 O   -1.056500      0.6059000      -2.721400    
 O    4.005500      -1.751300      -1.613200    
 N  -0.1027000      0.9288000     -0.6322000    
 N   -5.811600      -1.468600      0.9325000    
 C    1.144200       1.480600      -1.098300    
 C    2.185500      0.3905000      -1.377900    
 C    2.627000     -0.3935000     -0.1372000    
 C    1.684900       2.548900     -0.1582000    
 C   -1.113500      0.5318000      -1.496700    
 C    3.611800      -1.487800     -0.4853000    
 C   -2.348200      7.4999998E-03 -0.8580000    
 C   -3.546500      0.1209000      -1.531800    
 C   -2.256700     -0.5773000      0.3881000    
 C    1.373200       3.654800       1.910700    
 C   -4.640000     -0.9683000      0.3270000    
 C   -4.705500     -0.3725000     -0.9325000    
 C   -3.415700      -1.070800      0.9872000    
 C    4.915200      -3.202300      0.4953000    
 C   0.4364000       3.656600       3.099800    
 C    5.221000      -3.805500       1.849600    
 C   -5.806600      -2.579200       1.833600    
 H   0.9304000       2.002600      -2.040000    
 H    3.071500      0.8476000      -1.838100    
 H    1.782200     -0.3102000      -2.120900    
 H    3.108700      0.2796000      0.5802000    
 H    1.759000     -0.8630000      0.3385000    
 H  -0.2377000      0.8943000      0.3724000    
 H   -3.615200      0.5863000      -2.510600    
 H   -1.320200     -0.7081000      0.9200000    
 H    1.366900       4.640800       1.432900    
 H    2.390400       3.416700       2.241200    
 H   -5.653500     -0.2860000      -1.457400    
 H   -3.332200      -1.529200       1.968500    
 H    5.836900      -2.817200      4.4900000E-02
 H    4.481000      -3.965400     -0.1603000    
 H   0.4181000       2.671100       3.577000    
 H  -0.5886000       3.874700       2.782300    
 H   0.7438000       4.401600       3.839000    
 H   -6.684900      -1.251300      0.4631000    
 H    5.933200      -4.630400       1.758600    
 H    5.639300      -3.049700       2.522600    
 H    4.305800      -4.178900       2.320700    
 H   -5.349400      -2.316300       2.792600    
 H   -5.281400      -3.440200       1.407000    
 H   -6.835800      -2.889700       2.040900    


%chk=000097400-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097400

0 1
O 1.026845 2.566777 1.139154
O 4.147124 -2.027966 0.564147
O 2.656656 3.307992 -0.352137
O -0.877166 0.452706 -2.700002
O 3.809372 -1.904350 -1.738732
N -0.147768 0.957247 -0.559046
N -6.021482 -1.722191 0.588373
C 1.096697 1.543298 -1.070407
C 2.177402 0.473797 -1.423461
C 2.587083 -0.379764 -0.210576
C 1.681235 2.568543 -0.099296
C -1.089915 0.438063 -1.440868
C 3.554864 -1.489706 -0.585227
C -2.343817 -0.121578 -0.847096
C -3.411379 -0.434164 -1.734048
C -2.532454 -0.375491 0.536976
C 1.538496 3.536590 2.160129
C -4.813248 -1.202453 0.135553
C -4.619933 -0.957764 -1.261353
C -3.739374 -0.906076 1.029131
C 5.101872 -3.157662 0.339065
C 0.685242 3.357635 3.410806
C 5.622570 -3.574136 1.710828
C -6.311994 -2.013884 1.989874
H 0.865716 2.073118 -2.016174
H 3.055589 0.996193 -1.843123
H 1.762740 -0.168203 -2.218328
H 3.051353 0.226472 0.589475
H 1.689268 -0.851132 0.237268
H -0.366121 1.112926 0.425657
H -3.253964 -0.253427 -2.802574
H -1.725011 -0.189972 1.256772
H 1.461361 4.552244 1.732894
H 2.606596 3.316065 2.335734
H -5.430295 -1.186624 -1.965323
H -3.846131 -1.099588 2.100752
H 5.906099 -2.803913 -0.331208
H 4.561359 -3.972572 -0.175939
H 0.771486 2.331176 3.806903
H -0.377509 3.565029 3.198218
H 1.024211 4.059280 4.194506
H -6.738224 -1.924025 -0.106272
H 6.337447 -4.410245 1.602435
H 6.141296 -2.735625 2.206339
H 4.796166 -3.905958 2.362524
H -6.238713 -1.106315 2.622510
H -5.623604 -2.777501 2.406019
H -7.339842 -2.402966 2.074447


