%chk=000066902.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066902

0 1
 O   -1.361000       2.069400       1.358400    
 O    4.960000      0.9138000      0.4902000    
 N  -0.3521000       1.907700     -0.7552000    
 C   -3.940800      -2.047700     -0.2972000    
 C   -2.698800      -2.535100      0.4567000    
 C   -3.961200     -0.5596000     -0.6642000    
 C   -1.403000      -2.408900     -0.3479000    
 C   -3.941100      0.3668000      0.5533000    
 C  -0.2129000      -2.985300      0.4234000    
 C    1.115700      -2.859400     -0.3276000    
 C   -3.945800       1.856900      0.1925000    
 C    2.317800      -3.368400      0.4680000    
 C   -2.721000       2.346100     -0.5827000    
 C    3.605700      -3.236300     -0.3308000    
 C   -1.403000       2.097400      0.1314000    
 C    1.003600       1.654400     -0.4380000    
 C    1.920800       1.490500      -1.462600    
 C    1.384100       1.575300      0.8914000    
 C    3.256700       1.240100      -1.149000    
 C    2.720000       1.325000       1.205000    
 C    3.656300       1.157300      0.1848000    
 H   -4.047300      -2.633500      -1.218900    
 H   -4.825300      -2.271500      0.3124000    
 H   -2.600500      -2.007700       1.411700    
 H   -2.853900      -3.592000      0.7089000    
 H   -4.869200     -0.3592000      -1.246500    
 H   -3.117100     -0.3424000      -1.326200    
 H   -1.508100      -2.932900      -1.305300    
 H   -1.202800      -1.355500     -0.5728000    
 H   -3.073600      0.1488000       1.182800    
 H   -4.826000      0.1594000       1.168000    
 H  -0.3998000      -4.043100      0.6461000    
 H  -0.1266000      -2.468700       1.387500    
 H    1.044000      -3.411800      -1.272700    
 H    1.279700      -1.806800     -0.5896000    
 H   -4.028700       2.431200       1.124000    
 H   -4.846200       2.084300     -0.3911000    
 H    2.165800      -4.419600      0.7385000    
 H    2.411200      -2.801700       1.401500    
 H   -2.802700       3.428500     -0.7390000    
 H   -2.705300       1.884500      -1.576100    
 H    4.454100      -3.602600      0.2555000    
 H    3.799800      -2.191300     -0.5924000    
 H    3.555100      -3.818800      -1.256200    
 H  -0.5592000       1.959400      -1.750100    
 H    1.619800       1.552100      -2.504600    
 H   0.7232000       1.692600       1.737000    
 H    3.976200       1.110600      -1.953000    
 H    3.026700       1.260800       2.245600    
 H    5.465200      0.8215000     -0.3359000    


%chk=000066902-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066902

0 1
O -1.300206 2.524351 1.406139
O 4.953871 0.679835 0.208547
N -0.499823 1.910143 -0.714128
C -3.908263 -2.016547 -0.529865
C -2.715873 -2.594219 0.275364
C -3.877715 -0.481867 -0.749570
C -1.327328 -2.338292 -0.356224
C -3.864034 0.336274 0.563072
C -0.182577 -3.043981 0.406708
C 1.220028 -2.745978 -0.169714
C -4.004140 1.865797 0.371829
C 2.355426 -3.476886 0.583575
C -2.877813 2.513911 -0.475202
C 3.760660 -3.138022 0.039810
C -1.498923 2.320620 0.170235
C 0.874371 1.631328 -0.450878
C 1.688169 1.246071 -1.547683
C 1.449354 1.707707 0.848202
C 3.048343 0.930068 -1.361253
C 2.808831 1.391536 1.032054
C 3.609522 0.999350 -0.063981
H -3.945948 -2.517532 -1.519661
H -4.851930 -2.281699 -0.009325
H -2.724044 -2.186508 1.306308
H -2.862318 -3.689367 0.379895
H -4.766996 -0.191306 -1.347651
H -2.992769 -0.223072 -1.365364
H -1.333918 -2.683209 -1.412277
H -1.119178 -1.248879 -0.382151
H -2.932390 0.133150 1.126232
H -4.695964 -0.012336 1.208944
H -0.360305 -4.140358 0.399145
H -0.210511 -2.732482 1.472021
H 1.247692 -3.035936 -1.241925
H 1.405344 -1.652366 -0.137510
H -4.001425 2.352960 1.364703
H -4.976582 2.098112 -0.106862
H 2.186625 -4.571991 0.524246
H 2.304610 -3.212125 1.659447
H -3.065586 3.604122 -0.537542
H -2.895616 2.123706 -1.511079
H 4.548553 -3.698139 0.576992
H 3.975923 -2.059162 0.155643
H 3.839505 -3.389962 -1.035570
H -0.792274 1.782693 -1.685613
H 1.258579 1.184748 -2.555750
H 0.824134 2.010485 1.689868
H 3.660236 0.627589 -2.220539
H 3.263079 1.442214 2.025974
H 5.430096 0.420050 -0.618633


