%chk=000005578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005578

0 1
 O   -2.698700       2.501800      0.5331000    
 O   -2.753400      -2.135800     -0.6625000    
 O   -3.972600      0.3515000     -0.6609000    
 N    3.840400     -0.9052000     -0.7646000    
 N    3.822400       1.418500     -0.1267000    
 N    2.272300      -2.414900      0.1769000    
 N    5.381500      0.6079000      -1.681600    
 C    1.082900     -0.3313000       1.755300    
 C  -0.2528000     -0.1509000       1.117000    
 C    2.249400     -0.1025000      0.8154000    
 C  -0.8913000      -1.236100      0.5168000    
 C  -0.8638000       1.103100       1.120200    
 C   -2.113100       1.271800      0.5231000    
 C   -2.140600      -1.067400     -8.0300003E-02
 C   -2.751400      0.1866000     -7.7299997E-02
 C    2.801600      -1.104900      7.2999999E-02
 C    2.784300       1.147600      0.6914000    
 C    4.294500      0.3616000     -0.8148000    
 C   -2.412200       3.364900     -0.5656000    
 C   -3.609400      -2.921700      0.1643000    
 C   -4.070100      5.5500001E-02  -2.052100    
 H    1.174700      0.3682000       2.599600    
 H    1.145300      -1.308500       2.248700    
 H  -0.4331000      -2.220900      0.5188000    
 H  -0.3727000       1.953500       1.587000    
 H    2.405800       2.000000       1.244800    
 H    1.935800      -2.738200       1.073900    
 H    2.704400      -3.111500     -0.4193000    
 H   -2.743100       2.915700      -1.507100    
 H   -1.340800       3.585000     -0.6106000    
 H   -2.955600       4.301800     -0.4157000    
 H   -4.428600      -2.313300      0.5606000    
 H   -3.042100      -3.369800      0.9863000    
 H   -4.033400      -3.723600     -0.4462000    
 H   -4.450100     -0.9600000      -2.193800    
 H   -3.113300      0.1809000      -2.571000    
 H   -4.790300      0.7505000      -2.494100    
 H    5.758000       1.543000      -1.753300    
 H    5.771000     -0.1541000      -2.219100    


%chk=000005578-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005578

0 1
O -1.804218 2.287032 -0.881468
O -3.155192 -2.362093 0.178816
O -3.782193 0.178076 -1.057065
N 4.030297 -0.288708 -0.996957
N 4.544744 1.203894 0.878772
N 2.111023 -1.612483 -1.035046
N 5.972200 1.018578 -0.971943
C 1.274165 -0.653557 1.669975
C -0.063395 -0.431254 0.954191
C 2.502824 -0.167784 0.922198
C -1.023889 -1.470440 0.898513
C -0.376332 0.823785 0.380724
C -1.616079 1.039575 -0.261162
C -2.268713 -1.264252 0.264299
C -2.567899 -0.017310 -0.350587
C 2.880555 -0.680611 -0.368428
C 3.391259 0.775909 1.472742
C 4.809616 0.629002 -0.343315
C -3.050459 3.019279 -0.561548
C -4.491154 -2.150526 0.784972
C -3.818390 -0.528466 -2.362100
H 1.245686 -0.133385 2.648699
H 1.371945 -1.734099 1.902796
H -0.832738 -2.447560 1.356086
H 0.343688 1.647978 0.405663
H 3.175115 1.217811 2.454743
H 1.162689 -1.825193 -0.732200
H 2.429588 -1.912441 -1.954651
H -3.073379 3.272952 0.515911
H -3.938254 2.424390 -0.831714
H -2.999141 3.941330 -1.160205
H -4.999497 -1.283919 0.327306
H -4.390157 -1.997948 1.876306
H -5.049211 -3.078305 0.586976
H -3.700875 -1.617103 -2.212377
H -3.020274 -0.144477 -3.023733
H -4.806657 -0.304776 -2.792424
H 6.569413 1.701241 -0.514624
H 6.205090 0.624660 -1.878541


