%chk=000033670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033670

0 1
 O   -2.960300       2.371900     -0.8178000    
 O   -3.122100     -0.6160000       1.826200    
 O    1.702000      -4.795100     -2.7799999E-02
 O    3.159900      -3.229500     -0.5205000    
 N   -2.218300      0.2515000     -0.1631000    
 N   2.8000001E-02   1.913500      -1.466700    
 N   -4.489600      0.5751000      0.4022000    
 N    1.988700      -3.595200     -0.2576000    
 C   0.2297000     -0.3086000     -0.4367000    
 C   -1.105000     -0.6775000     -0.1663000    
 C   0.6547000       1.101500     -0.6826000    
 C    1.244100      -1.284500     -0.4758000    
 C   -1.363100      -2.041300      9.0499997E-02
 C   -1.192100       1.432700      -2.083000    
 C   -2.214400       1.401300     -0.9741000    
 C    1.869400       1.622100      8.7000001E-03
 C   0.9560000      -2.621500     -0.2193000    
 C  -0.3472000      -2.999400      6.8499997E-02
 C   -3.271000      4.8000002E-03  0.7696000    
 C    2.218900       1.118100       1.255600    
 C    2.638900       2.605000     -0.6018000    
 C    3.355100       1.604700       1.902100    
 C    3.775200       3.091400      4.4700000E-02
 C    4.133200       2.591200       1.296700    
 C   -5.670500      0.4838000       1.228300    
 H    2.259400     -0.9840000     -0.7274000    
 H   -2.375300      -2.399200      0.2671000    
 H   -1.088800      0.4697000      -2.594300    
 H   -1.523300       2.150600      -2.841300    
 H  -0.6191000      -4.033400      0.2652000    
 H    1.618900      0.3738000       1.770700    
 H    2.385200       3.003500      -1.580100    
 H   -4.585800      0.9967000     -0.5156000    
 H    3.630100       1.220700       2.880200    
 H    4.382500       3.858400     -0.4272000    
 H    5.017100       2.970900       1.800600    
 H   -5.402200      0.5894000       2.282600    
 H   -6.133000     -0.4929000       1.064900    
 H   -6.362600       1.276500      0.9357000    


%chk=000033670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000033670

0 1
O -3.330125 1.822133 -1.615987
O -2.939457 -0.791534 1.656642
O 1.666537 -4.994987 -0.111420
O 3.226337 -3.342113 -0.315750
N -2.211728 0.123107 -0.416317
N 0.023971 1.778627 -1.610735
N -4.277648 0.816903 0.610777
N 2.006276 -3.755637 -0.234132
C 0.243733 -0.403517 -0.469578
C -1.119126 -0.826329 -0.396899
C 0.624063 1.027131 -0.704837
C 1.263738 -1.386340 -0.406190
C -1.434376 -2.203280 -0.261674
C -1.099684 1.184450 -2.378907
C -2.321629 1.070790 -1.465836
C 1.758631 1.624518 0.058432
C 0.921944 -2.742997 -0.283500
C -0.421943 -3.171544 -0.208956
C -3.183645 0.006603 0.711304
C 2.132780 1.131572 1.338547
C 2.455105 2.739465 -0.483510
C 3.186199 1.738218 2.056569
C 3.508943 3.338676 0.232693
C 3.880059 2.839321 1.505411
C -5.287799 0.861730 1.675007
H 2.317018 -1.100222 -0.464420
H -2.481009 -2.505508 -0.190477
H -0.851705 0.186201 -2.800330
H -1.368556 1.869333 -3.195467
H -0.647275 -4.236234 -0.113414
H 1.587626 0.293143 1.785274
H 2.147365 3.118365 -1.462770
H -4.341500 1.429532 -0.221044
H 3.461288 1.354775 3.044897
H 4.044336 4.192132 -0.197313
H 4.701169 3.305327 2.061288
H -5.027972 0.120702 2.446299
H -6.286666 0.624299 1.267383
H -5.321977 1.863889 2.140041


