%chk=000018423.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018423

1 1
 O   0.1662000       1.721000       1.440300    
 N   -2.286000       2.313100      0.1854000    
 N    1.202600       1.568700     -0.6629000    
 C   -2.550600      0.8149000      0.2217000    
 C  -0.9536000       2.576700     -0.5013000    
 C   -2.597300      0.2408000      -1.191000    
 C   -2.239900       2.854600       1.606900    
 C   -3.399900       3.006600     -0.5858000    
 C   -2.913000      -1.258000      -1.282700    
 C   0.1889000       1.907100      0.2282000    
 C   -1.948300      -2.132600     -0.5221000    
 C  -0.8158000      -2.613700      -1.161800    
 C   -2.209000      -2.441000      0.8045000    
 C    2.431200      0.9303000     -0.3696000    
 C   7.6800004E-02  -3.422500     -0.4585000    
 C   -1.316200      -3.249900       1.507800    
 C  -0.1733000      -3.740500      0.8763000    
 C    3.323400      0.6734000      -1.397500    
 C    2.715700      0.5765000      0.9389000    
 C    4.534600      4.4700000E-02  -1.108600    
 C    3.926900     -5.2200001E-02   1.227700    
 C    4.836400     -0.3180000      0.2040000    
 H   -3.513000      0.6701000      0.7280000    
 H   -1.778300      0.3381000      0.8301000    
 H   -1.020100       2.293900      -1.554900    
 H  -0.7834000       3.660500     -0.4719000    
 H   -3.356200      0.7425000      -1.798700    
 H   -1.637300      0.3768000      -1.698300    
 H   -1.674800       3.791000       1.625400    
 H   -3.271300       3.053300       1.919600    
 H   -1.837100       2.111800       2.298500    
 H   -3.290100       2.816700      -1.656300    
 H   -3.307200       4.083800     -0.4113000    
 H   -4.365200       2.650400     -0.2141000    
 H   -3.931900      -1.437700     -0.9150000    
 H   -2.927600      -1.561700      -2.337600    
 H    1.065800       1.801800      -1.644100    
 H  -0.6106000      -2.368800      -2.200000    
 H   -3.096700      -2.066200       1.306000    
 H   0.9676000      -3.803100     -0.9497000    
 H   -1.510800      -3.497500       2.547200    
 H   0.5222000      -4.369500       1.424200    
 H    3.098200      0.9516000      -2.423200    
 H    2.065000      0.7465000       1.783800    
 H    5.242700     -0.1625000      -1.905600    
 H    4.163100     -0.3358000       2.249400    
 H    5.779300     -0.8078000      0.4289000    


%chk=000018423-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018423

1 1
O 0.107425 1.240701 1.316478
N -2.329816 2.336887 0.148743
N 1.245318 1.594987 -0.711810
C -2.672939 0.819614 0.041232
C -0.930644 2.665426 -0.402801
C -2.482083 0.198272 -1.350189
C -2.424035 2.745802 1.627683
C -3.345389 3.160696 -0.641413
C -2.838851 -1.321556 -1.303861
C 0.187658 1.747190 0.155477
C -1.963982 -2.118870 -0.340703
C -0.571376 -2.257877 -0.578518
C -2.520891 -2.730042 0.811156
C 2.484160 0.896490 -0.497418
C 0.245569 -2.983546 0.315686
C -1.706763 -3.461728 1.706987
C -0.320477 -3.587585 1.462902
C 3.448601 0.986167 -1.535098
C 2.754019 0.142670 0.673237
C 4.685377 0.324503 -1.403770
C 4.000591 -0.510772 0.788482
C 4.967580 -0.426984 -0.238879
H -3.726449 0.740819 0.365639
H -2.034715 0.310954 0.780472
H -0.995495 2.610743 -1.502239
H -0.725814 3.713434 -0.116945
H -3.121956 0.684041 -2.111299
H -1.429265 0.292452 -1.675134
H -2.283186 3.835818 1.704661
H -3.423138 2.469046 1.997772
H -1.636879 2.212315 2.178410
H -3.345389 2.841828 -1.693359
H -3.077267 4.226588 -0.573168
H -4.342944 3.002392 -0.204409
H -3.905638 -1.438045 -1.033399
H -2.731606 -1.714164 -2.332721
H 1.180645 2.061411 -1.622130
H -0.122630 -1.816113 -1.478431
H -3.599308 -2.652686 0.999559
H 1.317359 -3.086181 0.113126
H -2.154097 -3.937524 2.586308
H 0.309945 -4.158684 2.152562
H 3.240269 1.574106 -2.439039
H 2.008992 0.073382 1.466838
H 5.426974 0.398491 -2.205350
H 4.214847 -1.088839 1.693411
H 5.929793 -0.937830 -0.134435


