%chk=000046148.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046148

0 1
 O   -2.141700       1.509400     -0.6879000    
 O   -1.044500     -0.4922000     -0.5466000    
 O    5.272900      3.3000000E-03  0.9069000    
 N   -5.321700     -0.2437000      7.7299997E-02
 N   4.2399999E-02   1.550600     -0.1926000    
 C   -6.195400     -0.1604000       1.256100    
 C   -5.032700      -1.641800     -0.2719000    
 C   -7.520500     -0.8848000       1.013300    
 C   -6.319600      -2.414700     -0.5645000    
 C   -7.292400      -2.336100      0.6067000    
 C   -4.079500      0.4931000      0.3080000    
 C   -3.349700      0.8156000     -0.9982000    
 C   -4.162300       1.701200      -1.934200    
 C   -1.031900      0.7308000     -0.4785000    
 C    1.375200       1.172800      8.8399999E-02
 C    2.349200       2.133900      0.3595000    
 C    7.235700      -1.103800      8.4100001E-02
 C    1.710700     -0.1813000      9.2500001E-02
 C    3.994900      0.3870000      0.6385000    
 C    5.731500      -1.201100      0.2945000    
 C    3.659000       1.740900      0.6347000    
 C    7.793300      -2.357200     -0.5845000    
 C    3.020700     -0.5740000      0.3674000    
 C    2.017700       3.590800      0.3630000    
 C    9.288700      -2.238300     -0.8319000    
 H   -5.699700     -0.5834000       2.139800    
 H   -6.421700      0.8893000       1.479900    
 H   -4.412300      -1.705800      -1.171100    
 H   -4.483300      -2.141200      0.5373000    
 H   -8.134600     -0.8472000       1.920100    
 H   -8.082400     -0.3683000      0.2246000    
 H   -6.797000      -2.006300      -1.464400    
 H   -6.082000      -3.463200     -0.7767000    
 H   -8.244700      -2.805800      0.3373000    
 H   -6.886000      -2.895400       1.458300    
 H   -4.293200       1.450600      0.8038000    
 H   -3.417500     -4.3299999E-02   1.001100    
 H   -3.110900     -9.4099998E-02  -1.559600    
 H   -4.425500       2.646900      -1.447600    
 H   -5.081700       1.209800      -2.266000    
 H   -3.572000       1.960200      -2.820200    
 H  -0.1596000       2.546100     -0.1853000    
 H    7.459300     -0.2182000     -0.5240000    
 H    7.729100     -0.9362000       1.049600    
 H    5.496400      -2.047300      0.9504000    
 H    5.263500      -1.357000     -0.6863000    
 H    1.015000     -0.9853000     -0.1001000    
 H    4.426600       2.481000      0.8475000    
 H    7.285700      -2.527500      -1.541100    
 H    7.599900      -3.232700      4.5899998E-02
 H    3.234900      -1.638600      0.3885000    
 H    2.894200       4.206400      0.5935000    
 H    1.260200       3.811500       1.122400    
 H    1.652900       3.905000     -0.6206000    
 H    9.831600      -2.097200      0.1081000    
 H    9.667300      -3.147300      -1.309900    
 H    9.511800      -1.391200      -1.488500    


%chk=000046148-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046148

0 1
O -2.294183 1.801672 -0.602301
O -1.246502 -0.302628 -0.851124
O 5.393942 0.212775 0.037169
N -5.286455 -0.336031 0.252465
N -0.056049 1.688548 -0.345080
C -6.305847 -0.329231 1.332290
C -4.837568 -1.719623 -0.059990
C -7.541236 -1.158190 0.922379
C -6.022831 -2.592441 -0.517571
C -7.135787 -2.604850 0.555960
C -4.151086 0.582872 0.496819
C -3.625668 1.156218 -0.842106
C -4.528451 2.235976 -1.433056
C -1.181687 0.933005 -0.616682
C 1.298613 1.251245 -0.263540
C 2.296690 2.237385 0.024508
C 7.358109 -1.197440 0.008876
C 1.672372 -0.100123 -0.453416
C 4.017704 0.478256 -0.077635
C 5.837565 -1.178705 -0.160334
C 3.641415 1.830317 0.112214
C 7.948479 -2.612626 -0.194373
C 3.026121 -0.489368 -0.361737
C 1.922192 3.695911 0.231534
C 9.482606 -2.639358 -0.024387
H -5.890176 -0.745299 2.288759
H -6.600073 0.718976 1.528426
H -4.060692 -1.676931 -0.843904
H -4.360906 -2.189293 0.841023
H -8.277067 -1.155528 1.749756
H -8.016888 -0.674794 0.046916
H -6.423956 -2.183067 -1.465018
H -5.665303 -3.620330 -0.720632
H -8.014701 -3.174838 0.199592
H -6.761258 -3.121493 1.464376
H -4.493691 1.422004 1.131430
H -3.311337 0.079297 1.031156
H -3.466962 0.327896 -1.555947
H -4.562746 3.121009 -0.772278
H -5.548314 1.824012 -1.528903
H -4.174890 2.555054 -2.428366
H -0.241577 2.681286 -0.193073
H 7.808242 -0.493301 -0.717049
H 7.612825 -0.823827 1.019217
H 5.346253 -1.836819 0.587580
H 5.547641 -1.521988 -1.176213
H 0.899900 -0.839803 -0.673593
H 4.426932 2.561065 0.330427
H 7.682347 -2.982480 -1.205648
H 7.484535 -3.315047 0.527959
H 3.283448 -1.541288 -0.514149
H 2.817311 4.302577 0.443983
H 1.228610 3.830493 1.086027
H 1.439412 4.132458 -0.665986
H 9.774505 -2.301760 0.987621
H 9.886894 -3.657323 -0.171975
H 9.973523 -1.970186 -0.755597


