%chk=000046560.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046560

1 1
 O   -3.964400      0.7057000     -4.6000001E-03
 O   -3.599100      -1.588700      8.8699996E-02
 N    4.613900     -0.9930000     -7.4900001E-02
 N   -5.752500     -0.7262000      0.1217000    
 C    3.955800      0.3381000     -0.1895000    
 C    2.430600      0.1670000     -0.1940000    
 C    4.190300      -1.906200      -1.231100    
 C    6.139400     -0.8456000     -0.1119000    
 C    4.228000      -1.674600       1.243100    
 C    4.418000       1.191900      0.9848000    
 C    1.620900       1.471300     -0.2280000    
 C   0.1283000       1.266200     -0.1684000    
 C  -0.5865000       1.117900      -1.347200    
 C  -0.5049000       1.230400       1.064700    
 C   -1.967400      0.9291000      -1.291600    
 C   -1.885800       1.041500       1.120300    
 C   -2.617100      0.8909000     -5.7900000E-02
 C   -4.376600     -0.6389000      7.1999997E-02
 C   -6.470900      -1.976700      0.2040000    
 H    4.282800      0.7954000      -1.132100    
 H    2.113500     -0.4148000      -1.066400    
 H    2.081900     -0.3765000      0.6885000    
 H    4.332000      -1.364400      -2.170600    
 H    4.822200      -2.800100      -1.213500    
 H    3.151200      -2.216900      -1.097600    
 H    6.576300      -1.836300     -0.2750000    
 H    6.407200     -0.1814000     -0.9386000    
 H    6.505200     -0.4704000      0.8466000    
 H    4.531000      -1.069800       2.099000    
 H    3.165000      -1.918000       1.260300    
 H    4.783400      -2.619000       1.286200    
 H    4.110500       2.230700      0.8104000    
 H    5.499700       1.257200       1.112800    
 H    3.960000      0.9096000       1.937700    
 H    1.876900       2.036300      -1.134000    
 H    1.903600       2.120500      0.6091000    
 H  -8.9199997E-02   1.144200      -2.312600    
 H   5.5900000E-02   1.344300       1.988000    
 H   -2.531100      0.8123000      -2.213200    
 H   -2.385700       1.012400       2.084700    
 H   -6.289500      0.1353000      9.8899998E-02
 H   -5.787300      -2.828500      0.2306000    
 H   -7.124300      -2.052500     -0.6685000    
 H   -7.079800      -1.961000       1.111100    


%chk=000046560-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046560

1 1
O -3.959360 -0.030405 -0.629479
O -4.246519 -1.076742 1.503795
N 4.856088 -0.890253 -0.100943
N -6.011434 -0.755439 -0.020594
C 3.983696 0.435371 0.076239
C 2.466926 0.131851 0.024552
C 4.703656 -1.410316 -1.530601
C 6.337372 -0.583689 0.119815
C 4.425378 -1.978642 0.878203
C 4.370987 1.200941 1.352796
C 1.625136 1.387932 -0.362675
C 0.141586 1.046030 -0.411057
C -0.506618 0.772707 -1.642131
C -0.614474 0.946992 0.783986
C -1.864952 0.397492 -1.677071
C -1.975276 0.576609 0.772718
C -2.592459 0.293319 -0.469817
C -4.718813 -0.672392 0.417043
C -7.073021 -1.369505 0.785976
H 4.271010 1.030179 -0.813853
H 2.222508 -0.650721 -0.717304
H 2.119348 -0.235330 1.008270
H 5.081186 -0.648597 -2.229897
H 5.289640 -2.336283 -1.637907
H 3.647218 -1.619675 -1.743080
H 6.927165 -1.464254 -0.179349
H 6.624056 0.282114 -0.496641
H 6.518900 -0.365894 1.180661
H 4.492822 -1.593702 1.905663
H 3.392326 -2.281903 0.660419
H 5.098364 -2.842673 0.762711
H 3.703139 2.075126 1.434211
H 5.400343 1.592310 1.339208
H 4.220160 0.602641 2.268856
H 1.963372 1.761875 -1.348584
H 1.803409 2.197029 0.370809
H 0.045779 0.863811 -2.585625
H -0.142854 1.178150 1.747967
H -2.375066 0.191080 -2.622435
H -2.540519 0.495307 1.702028
H -6.221355 -0.373447 -0.943659
H -6.632744 -1.707435 1.736783
H -7.510320 -2.241659 0.267814
H -7.874385 -0.641210 1.004178


