%chk=000028085.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028085

0 1
 I  -0.4486000      -5.115400       1.124700    
 O   0.7786000      0.5636000      0.2372000    
 N   -1.591100     -0.9134000      0.7078000    
 C   -1.214200      0.2426000       1.520600    
 C    2.232000      -1.331400      -1.329900    
 C   -3.046800      -1.033700      0.6342000    
 C    2.877200     -0.1590000     -0.6678000    
 C   0.2976000      0.3978000       1.564600    
 C   -1.004300      -2.136200       1.255100    
 C    2.129500      0.7387000      8.6999997E-02
 C   -3.679900      0.1856000      1.8400000E-02
 C    4.251300      3.3799998E-02 -0.8104000    
 C    2.360200      -1.283800      -2.863700    
 C    2.769500      -2.673800     -0.8009000    
 C    2.740400       1.827400      0.7008000    
 C    4.114500       2.020000      0.5581000    
 C   -1.324800      -3.322000      0.3495000    
 C    4.869900       1.123300     -0.1975000    
 C   -4.063700       1.241600      0.8334000    
 C   -3.870400      0.2369000      -1.355400    
 C    4.776400       3.185000       1.213000    
 C   -4.650100       2.371400      0.2631000    
 C   -4.456700       1.366900      -1.925600    
 C   -4.846600       2.434100      -1.116300    
 H   -1.571500       1.171500       1.068000    
 H   -1.608900      0.1735000       2.541900    
 H    1.155700      -1.334500      -1.120400    
 H   -3.485900      -1.217100       1.625100    
 H   -3.368200      -1.870100      7.0000002E-03
 H   0.8196000     -0.4148000       2.080200    
 H   0.5038000       1.306100       2.144600    
 H   -1.356000      -2.322200       2.278600    
 H   8.6900003E-02  -2.080100       1.289700    
 H    4.860700     -0.6513000      -1.393200    
 H    1.960900     -0.3428000      -3.258100    
 H    1.797800      -2.105100      -3.321000    
 H    3.401500      -1.370800      -3.192100    
 H    3.828000      -2.817200      -1.042900    
 H    2.212600      -3.509000      -1.239200    
 H    2.662700      -2.733000      0.2879000    
 H    2.156500       2.540600       1.276200    
 H   -2.393800      -3.538100      0.2901000    
 H  -0.9579000      -3.144900     -0.6680000    
 H    5.941500       1.261400     -0.3146000    
 H   -3.932000       1.201600       1.911100    
 H   -3.568000     -0.5866000      -1.996100    
 H    5.682900       3.482000      0.6746000    
 H    4.113100       4.056500       1.228000    
 H    5.049200       2.932000       2.242400    
 H   -4.956800       3.200900      0.8935000    
 H   -4.609100       1.416300      -2.999900    
 H   -5.303700       3.313600      -1.560300    


%chk=000028085-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028085

0 1
I 0.397501 -4.442422 3.216870
O 0.758848 0.434093 0.546820
N -1.714105 -0.754099 1.821312
C -1.164659 0.595953 2.039729
C 1.343410 0.078592 -2.171239
C -3.136774 -0.803584 1.431761
C 2.444943 0.421421 -1.164795
C 0.360681 0.693911 1.934840
C -1.250200 -1.817438 2.729235
C 2.127199 0.580015 0.219174
C -3.440372 -0.201088 0.058662
C 3.801882 0.563443 -1.526353
C 1.661294 0.525684 -3.616480
C 1.036914 -1.446911 -2.130997
C 3.124441 0.866323 1.178682
C 4.483917 0.998118 0.792479
C -0.392413 -2.802036 1.914184
C 4.809950 0.845261 -0.573128
C -4.728954 0.325667 -0.206769
C -2.473831 -0.207953 -0.976702
C 5.550409 1.292447 1.834473
C -5.055094 0.820172 -1.489973
C -2.796047 0.292184 -2.258094
C -4.088057 0.803594 -2.522056
H -1.607193 1.271514 1.286549
H -1.443744 0.996003 3.048502
H 0.428016 0.607461 -1.842042
H -3.793587 -0.311402 2.192501
H -3.431040 -1.871590 1.416058
H 0.863066 -0.026780 2.613617
H 0.672618 1.717611 2.230595
H -2.099688 -2.355709 3.194109
H -0.652525 -1.400173 3.562819
H 4.084634 0.460362 -2.579327
H 1.917662 1.599678 -3.663220
H 0.783102 0.352616 -4.266158
H 2.502431 -0.048672 -4.048311
H 1.922717 -2.027453 -2.449739
H 0.199038 -1.696632 -2.809537
H 0.762951 -1.769206 -1.111043
H 2.866489 0.987616 2.236016
H -0.972931 -3.316207 1.133637
H 0.496301 -2.322693 1.478930
H 5.852107 0.947730 -0.896802
H -5.481493 0.348078 0.592371
H -1.471659 -0.589452 -0.756402
H 6.538759 1.436601 1.365423
H 5.313519 2.206768 2.410602
H 5.642274 0.463213 2.561702
H -6.056530 1.221836 -1.682408
H -2.037893 0.285300 -3.050301
H -4.336782 1.190634 -3.516674


