%chk=000029749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029749

0 1
 O    6.156300       1.933100      0.6676000    
 O   -6.172300      -1.909000      0.7011000    
 O    7.130800     -0.5547000       1.434300    
 O   -7.125000      0.6003000       1.423900    
 N   2.3000001E-03 -3.3700000E-02  -1.700400    
 C    1.198500     -0.1020000     -0.8736000    
 C   -1.196500      5.5500001E-02 -0.8734000    
 C    2.457300     -0.1883000      -1.737300    
 C   -2.468000      0.1391000      -1.729800    
 C    3.702800     -0.2822000     -0.8926000    
 C   -3.699100      0.2573000     -0.8966000    
 C    4.365800      0.8790000     -0.4957000    
 C   -4.372400     -0.8910000     -0.4797000    
 C    4.191800      -1.530700     -0.5078000    
 C   -4.177200       1.516500     -0.5338000    
 C    5.517800      0.7920000      0.2862000    
 C   -5.523700     -0.7803000      0.3000000    
 C    5.343900      -1.617700      0.2737000    
 C   -5.328700       1.627200      0.2457000    
 C    6.006900     -0.4565000      0.6708000    
 C   -6.001900      0.4789000      0.6627000    
 C    5.591500       3.168400      0.2324000    
 C   -5.618200      -3.156500      0.2876000    
 C    7.564000      -1.867800       1.784100    
 C   -7.546800       1.923000       1.750600    
 H    1.261100      0.7874000     -0.2336000    
 H    1.148600     -0.9764000     -0.2118000    
 H   -1.262200     -0.8181000     -0.2120000    
 H   -1.137500      0.9448000     -0.2329000    
 H    2.526800      0.6855000      -2.398700    
 H    2.404800      -1.061000      -2.401900    
 H   -2.542300     -0.7441000      -2.378500    
 H   -2.402100      0.9974000      -2.412000    
 H  -5.2999999E-02 -0.8571000      -2.299000    
 H    3.937400       1.820400     -0.8230000    
 H   -3.952500      -1.842000     -0.7901000    
 H    3.682100      -2.441900     -0.8099000    
 H   -3.659800       2.418200     -0.8510000    
 H    5.665300      -2.620000      0.5350000    
 H   -5.641400       2.636600      0.4894000    
 H    5.608300       3.257900     -0.8592000    
 H    4.590500       3.324000      0.6492000    
 H    6.226600       3.969000      0.6258000    
 H   -5.635600      -3.265000     -0.8022000    
 H   -4.618800      -3.313600      0.7075000    
 H   -6.260400      -3.944600      0.6948000    
 H    6.825400      -2.384000       2.406700    
 H    7.843500      -2.449700      0.8992000    
 H    8.469100      -1.757600       2.390500    
 H   -6.803900       2.443500       2.364500    
 H   -7.821000       2.491800      0.8556000    
 H   -8.453000       1.831300       2.358500    


%chk=000029749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029749

0 1
O 6.151085 1.895112 0.877033
O -6.443735 -1.726154 0.760808
O 7.404970 -0.397791 1.312794
O -7.323424 0.709393 1.316074
N 0.010526 -0.215709 -1.594824
C 1.251417 -0.327823 -0.799208
C -1.231011 -0.081470 -0.804587
C 2.491344 -0.391593 -1.727009
C -2.456201 0.099537 -1.737144
C 3.800281 -0.433785 -0.953351
C -3.751741 0.293263 -0.964442
C 4.349059 0.765417 -0.421459
C -4.483030 -0.829983 -0.490443
C 4.481356 -1.645267 -0.717688
C -4.234947 1.583758 -0.664167
C 5.543811 0.758314 0.327793
C -5.664465 -0.672344 0.264386
C 5.682137 -1.671535 0.033940
C -5.417775 1.760534 0.094486
C 6.223998 -0.481120 0.562341
C -6.141741 0.644535 0.565024
C 5.491752 3.180606 0.645662
C -5.990888 -3.085762 0.467744
C 8.122680 -1.648612 1.559129
C -7.836756 2.042969 1.630362
H 1.325785 0.568327 -0.152237
H 1.261702 -1.213552 -0.115519
H -1.416243 -0.947999 -0.120511
H -1.133614 0.812776 -0.158523
H 2.452682 0.488782 -2.396201
H 2.409096 -1.289953 -2.371583
H -2.533197 -0.789550 -2.396814
H -2.256064 0.968328 -2.390561
H -0.063377 -0.980388 -2.282364
H 3.829586 1.711100 -0.610843
H -4.118629 -1.835602 -0.726752
H 4.080653 -2.581501 -1.123687
H -3.690087 2.463792 -1.025236
H 6.190519 -2.626283 0.198488
H -5.770512 2.773785 0.309004
H 5.428912 3.414442 -0.435566
H 4.475577 3.200201 1.086937
H 6.129082 3.922095 1.149319
H -5.966980 -3.278389 -0.623241
H -4.989043 -3.281257 0.899085
H -6.733924 -3.742240 0.943836
H 7.502672 -2.365573 2.133195
H 8.451012 -2.120894 0.611997
H 9.001739 -1.359445 2.153594
H -7.115053 2.621952 2.240126
H -8.081427 2.610494 0.710611
H -8.753664 1.864663 2.211094


