%chk=000005167.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005167

0 1
 O    1.172800      0.8177000     -0.4662000    
 O   -3.717700       3.597500      0.6746000    
 O  -0.9560000       1.115000      -2.086900    
 O   -5.282600       3.697300     -0.9658000    
 N   -2.321100       1.807200     -0.3346000    
 N   -6.114700      -1.509100       1.348000    
 N   -7.259100      -3.358700      0.3283000    
 N   -7.281800      -3.079500       2.590300    
 C    3.529300      0.3085000     -0.2437000    
 C   -3.526900       2.011800      -1.096400    
 C   -4.389800      0.7494000      -1.177000    
 C    2.225900      0.6907000      0.4849000    
 C    4.789000      0.6257000      0.5510000    
 C    3.522200      -1.136100     -0.7317000    
 C   -4.870100      0.2279000      0.1827000    
 C  -3.0200001E-02   1.247400      0.1348000    
 C   -5.685400      -1.051200      2.5500000E-02
 C   -1.129200       1.373000     -0.8988000    
 C    5.973000      0.9417000     -0.1153000    
 C    4.000400      -2.153500      9.4300002E-02
 C    4.758900      0.6008000       1.945500    
 C    3.037200      -1.440500      -2.003700    
 C   -4.275400       3.185800     -0.4941000    
 C    7.126800       1.232500      0.6126000    
 C    3.993900      -3.475100     -0.3518000    
 C    5.912700      0.8917000       2.673300    
 C    3.030600      -2.762200      -2.449600    
 C    7.096700       1.207600       2.006800    
 C    3.508900      -3.779400      -1.623700    
 C   -6.838500      -2.584200       1.386600    
 H    3.575400      0.9468000      -1.139800    
 H   -3.233100       2.313300      -2.109200    
 H   -3.817200     -4.1200001E-02  -1.678800    
 H   -5.265300      0.9541000      -1.806200    
 H    2.345400       1.658300      0.9885000    
 H    1.947500     -6.4300001E-02   1.230600    
 H   -4.012400      2.8899999E-02  0.8366000    
 H   -5.480300      0.9876000      0.6857000    
 H   -2.355000       1.966600      0.6688000    
 H  -0.3492000      0.5223000      0.8925000    
 H   0.1144000       2.227100      0.6051000    
 H   -5.067700      -1.817200     -0.4590000    
 H   -6.556500     -0.8469000     -0.6089000    
 H    6.010700      0.9634000      -1.201200    
 H    4.364900      -1.963700       1.098100    
 H    3.859400      0.3447000       2.496800    
 H    2.660300     -0.6584000      -2.657200    
 H    8.048900       1.477800      9.3699999E-02
 H    4.361200      -4.268200      0.2929000    
 H    5.890700      0.8689000       3.758900    
 H    2.652400      -2.999400      -3.439600    
 H    7.995300       1.433100       2.573500    
 H    3.502300      -4.808600      -1.970400    
 H   -4.212700       4.345200       1.072300    
 H   -7.826800      -4.185700      0.4792000    
 H   -7.020600      -3.138200     -0.6320000    
 H   -7.847800      -3.919300       2.642200    
 H   -7.052400      -2.617000       3.463300    


%chk=000005167-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005167

0 1
O 0.773856 -1.437027 1.053117
O -1.077026 -0.458769 -2.398337
O -1.622992 -4.152018 0.677418
O -2.765058 -1.440495 -3.663152
N -1.241429 -2.116429 -0.415077
N -5.329706 1.129003 0.937589
N -7.721416 0.935850 1.352409
N -6.620529 3.001229 1.535349
C 2.537841 0.223478 0.907537
C -2.342823 -2.253603 -1.372028
C -3.742887 -1.938130 -0.752864
C 2.168453 -1.185833 1.421938
C 3.943967 0.574627 1.427526
C 2.388200 0.392189 -0.609056
C -3.895482 -0.492366 -0.241534
C 0.278889 -2.776350 1.375146
C -5.245180 -0.268630 0.469080
C -0.961246 -3.077511 0.517641
C 4.084534 1.166474 2.709417
C 2.078912 1.676618 -1.125609
C 5.114156 0.274830 0.685736
C 2.571137 -0.672467 -1.526531
C -2.109533 -1.380002 -2.602343
C 5.361712 1.451231 3.241174
C 1.960345 1.896674 -2.515503
C 6.393675 0.557419 1.215286
C 2.454626 -0.460021 -2.918838
C 6.523174 1.144830 2.494881
C 2.150145 0.825997 -3.421476
C -6.500276 1.627545 1.259445
H 1.821199 0.916810 1.390916
H -2.377581 -3.305701 -1.717390
H -3.886143 -2.659442 0.073783
H -4.505964 -2.159269 -1.524421
H 2.287979 -1.219770 2.525000
H 2.830857 -1.965068 0.984216
H -3.084493 -0.245333 0.468698
H -3.820687 0.231830 -1.075813
H -0.621009 -1.299316 -0.463891
H 1.044103 -3.551234 1.154714
H 0.002742 -2.856966 2.445651
H -5.311670 -0.980216 1.325726
H -6.072587 -0.538026 -0.235031
H 3.186379 1.412450 3.290843
H 1.929926 2.511980 -0.430037
H 5.023542 -0.158796 -0.316366
H 2.789610 -1.682477 -1.162207
H 5.451023 1.913816 4.230653
H 1.725127 2.899439 -2.890429
H 7.288764 0.324368 0.627318
H 2.597377 -1.298568 -3.609985
H 7.515656 1.367139 2.902543
H 2.073000 0.994052 -4.502039
H -0.918957 0.100357 -3.204788
H -8.600974 1.431594 1.223800
H -7.726325 -0.075666 1.257794
H -7.260919 3.304160 2.268598
H -5.756412 3.529209 1.420101


