%chk=000126308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126308

0 1
 O    2.329500     -0.3518000      0.5880000    
 O    3.084800       2.857800      -1.022200    
 O    5.693700       1.649300     -0.6701000    
 O    5.534000      -1.217100     -0.9774000    
 O    4.232000      -3.280800      0.2850000    
 O    2.785500      -2.502300       1.865400    
 N    1.041000       1.603300      0.6043000    
 C    3.328400       1.714800     -0.2033000    
 C    4.474400      0.9219000     -0.8325000    
 C    2.059700      0.8634000     -0.1087000    
 C    4.639300     -0.4476000     -0.1751000    
 C    3.295300      -1.160900     -7.4800000E-02
 C  -0.3335000       1.288100      0.5212000    
 C   -2.105600     -5.5900000E-02 -0.3323000    
 C   -3.046300      0.7094000      0.3931000    
 C   -2.802700      -1.148300      -1.116300    
 C    3.385900      -2.361300      0.8104000    
 C  -0.7510000      0.2219000     -0.2775000    
 C   -4.368800      0.1815000      0.1355000    
 C   -4.253300     -0.9132000     -0.7505000    
 C   -1.264300       2.052800       1.245400    
 C   -2.631700       1.767100       1.185200    
 C   -5.609700      0.5783000      0.6053000    
 C   -5.364600      -1.619700      -1.175600    
 C   -6.736700     -0.1314000      0.1796000    
 C   -6.615300      -1.219400     -0.7019000    
 H    3.637900       2.076200      0.7859000    
 H    4.323500      0.8116000      -1.913900    
 H    1.729600      0.6502000      -1.133900    
 H    5.097800     -0.3369000      0.8159000    
 H    2.906200      -1.481000      -1.049100    
 H    1.315700       2.319800       1.267200    
 H   -2.473600      -2.136000     -0.7809000    
 H   -2.647100      -1.013500      -2.190600    
 H  -7.4500002E-02 -0.4058000     -0.8446000    
 H    2.338300       3.342000     -0.6298000    
 H    5.565500       2.524400      -1.074400    
 H    6.371500     -0.7259000      -1.032900    
 H  -0.9276000       2.881500       1.864600    
 H   -3.338200       2.366300       1.749700    
 H   -5.719300       1.415800       1.286100    
 H   -5.272600      -2.459400      -1.855400    
 H   -7.721500      0.1612000      0.5347000    
 H   -7.507100      -1.754400      -1.017600    
 H    4.306700      -4.077000      0.8532000    


%chk=000126308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000126308

0 1
O 2.457728 -0.371918 0.669385
O 3.148726 2.996164 -0.920121
O 5.763212 1.777076 -0.805852
O 5.714661 -1.111214 -0.984135
O 3.067015 -3.496163 0.187358
O 4.344728 -2.477634 1.842074
N 1.068620 1.582449 0.668021
C 3.377562 1.787003 -0.119443
C 4.502647 1.029519 -0.832960
C 2.107468 0.909880 -0.043333
C 4.794694 -0.321684 -0.166540
C 3.495333 -1.140978 -0.057160
C -0.311965 1.242008 0.558682
C -2.128263 -0.128932 -0.302121
C -3.084938 0.702457 0.354867
C -2.841207 -1.256652 -1.040129
C 3.708242 -2.403911 0.773148
C -0.751578 0.120843 -0.197980
C -4.435462 0.180518 0.078390
C -4.312623 -0.980453 -0.746911
C -1.264025 2.070450 1.217219
C -2.644443 1.800985 1.126284
C -5.709142 0.635820 0.487092
C -5.454724 -1.684878 -1.163765
C -6.856198 -0.076283 0.064723
C -6.733119 -1.226838 -0.753632
H 3.695920 2.049028 0.913819
H 4.185748 0.857606 -1.885638
H 1.762713 0.663145 -1.069808
H 5.208909 -0.149172 0.847759
H 3.142991 -1.420543 -1.070396
H 1.350527 2.012498 1.553662
H -2.526015 -2.252399 -0.670752
H -2.625367 -1.240574 -2.126563
H -0.026052 -0.562202 -0.649904
H 2.311674 3.425727 -0.604301
H 5.598608 2.667378 -1.209428
H 6.539520 -0.574529 -1.104873
H -0.913439 2.935437 1.793708
H -3.359428 2.448860 1.645267
H -5.813803 1.524274 1.120333
H -5.366047 -2.576136 -1.796007
H -7.851507 0.263555 0.372875
H -7.632964 -1.765774 -1.070732
H 3.206260 -4.304812 0.752218


