%chk=000026943.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026943

0 1
 O   -2.240300     -0.8217000      -2.615500    
 N  -0.2515000      0.1660000      0.9117000    
 N    3.132300      -1.107000     -7.0799999E-02
 N   -1.558300       1.086000      -1.610800    
 C    1.112300     -0.3523000       1.082500    
 C    1.771900     -0.6211000     -0.2621000    
 C  -0.3543000       1.510400      0.5230000    
 C   -1.253400     -0.8111000      0.8164000    
 C    3.936900     -0.1185000      0.6501000    
 C    3.753300      -1.424200      -1.358500    
 C  -0.9924000       1.937100     -0.6462000    
 C   -2.074100     -0.9805000     -0.3020000    
 C   0.2166000       2.500800       1.357900    
 C   -1.471700      -1.658800       1.928600    
 C   -1.928400     -0.2386000      -1.573000    
 C    5.339100     -0.6400000      0.9151000    
 C    2.934900      -2.449100      -2.125100    
 C   -1.005400       3.308100     -0.9759000    
 C   -3.076300      -1.974200     -0.2916000    
 C   0.1779000       3.857200       1.035800    
 C   -2.465200      -2.637100       1.932200    
 C  -0.4318000       4.262100     -0.1395000    
 C   -3.272100      -2.793500      0.8178000    
 H    1.662000      0.3664000       1.690800    
 H    1.120500      -1.276500       1.675900    
 H    1.150000      -1.367500     -0.7668000    
 H    1.763400      0.2806000     -0.8884000    
 H    3.987800      0.8396000      0.1180000    
 H    3.541800      7.6300003E-02   1.649100    
 H    3.894600     -0.5290000      -1.977100    
 H    4.736100      -1.882800      -1.209300    
 H   0.6893000       2.220400       2.297700    
 H  -0.8687000      -1.542200       2.828000    
 H   -1.738900       1.530600      -2.508700    
 H    5.324300      -1.652100       1.334200    
 H    5.964100     -0.6356000      1.6899999E-02
 H    5.840400      6.8000001E-03   1.644400    
 H    2.646700      -3.296800      -1.493700    
 H    2.036600      -2.016300      -2.576500    
 H    3.533100      -2.849500      -2.951700    
 H   -1.475000       3.647800      -1.897700    
 H   -3.725700      -2.123700      -1.152100    
 H   0.6241000       4.588800       1.702400    
 H   -2.608100      -3.265900       2.805500    
 H  -0.4625000       5.313400     -0.4079000    
 H   -4.050800      -3.549900      0.8069000    


%chk=000026943-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026943

0 1
O -2.958364 0.565121 -2.936157
N -0.091408 0.398807 0.197269
N 3.337472 -1.203258 -0.220335
N -1.864996 1.974513 -1.495045
C 1.289581 -0.023663 0.543669
C 1.915030 -0.934702 -0.541032
C -0.491126 1.728539 0.565676
C -1.096883 -0.607882 0.028441
C 4.258079 -0.170809 -0.769463
C 3.767472 -2.596055 -0.512809
C -1.367849 2.484530 -0.263010
C -2.190624 -0.439652 -0.876204
C 0.019041 2.335315 1.743136
C -1.000997 -1.829707 0.753645
C -2.352214 0.708408 -1.826282
C 5.557606 -0.021951 0.045066
C 3.208339 -3.617182 0.496314
C -1.693274 3.819052 0.087364
C -3.155568 -1.473008 -1.006409
C -0.294391 3.669718 2.077854
C -1.969138 -2.842394 0.612488
C -1.154371 4.418761 1.244061
C -3.063825 -2.665320 -0.265721
H 1.897047 0.894442 0.617622
H 1.366586 -0.535048 1.526383
H 1.365194 -1.890364 -0.585579
H 1.785515 -0.446742 -1.535030
H 4.504717 -0.376844 -1.841656
H 3.723009 0.797552 -0.757128
H 3.489219 -2.902077 -1.552898
H 4.871230 -2.623731 -0.463883
H 0.673101 1.753626 2.400720
H -0.169283 -1.978264 1.448957
H -2.095671 2.670220 -2.212628
H 5.322839 0.238581 1.091860
H 6.149666 -0.955025 0.052812
H 6.194301 0.773374 -0.385689
H 3.537072 -3.360580 1.518591
H 2.102921 -3.639991 0.486722
H 3.563745 -4.636032 0.253468
H -2.369646 4.387778 -0.562576
H -3.957659 -1.320486 -1.735508
H 0.123874 4.115406 2.986412
H -1.870573 -3.766252 1.193850
H -1.409264 5.454165 1.492186
H -3.820430 -3.447989 -0.379521


