%chk=000126319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126319

1 1
 O    2.602800     -0.9166000      4.1000000E-03
 N   -3.023400      0.4768000     -0.2654000    
 N    3.917100      0.9316000      0.3936000    
 C   -4.243500     -8.4799998E-02 -0.3585000    
 C    4.737300     -0.1246000      2.5800001E-02
 C   -2.262900      0.4464000      0.8520000    
 C    2.615900      0.4486000      0.3811000    
 C   -2.452400       1.174700      -1.432700    
 C   -4.778900     -0.7496000      0.7669000    
 C    4.426800       2.241800      0.7120000    
 C    3.929400      -1.246500     -0.2100000    
 C   -2.760100     -0.2030000       1.984400    
 C   -4.015700     -0.7993000       1.941300    
 C  -0.9708000       1.065700      0.8871000    
 C   -4.971300     -1.1700000E-02  -1.550300    
 C    1.466100       1.072200      0.6614000    
 C    6.105000     -0.2175000     -0.1261000    
 C   -6.051700      -1.333200      0.6668000    
 C   0.1739000      0.4240000      0.6022000    
 C   -2.853300       2.635900      -1.392800    
 C    4.427300      -2.470800     -0.5946000    
 C    4.537700       3.109600     -0.5247000    
 C   -6.233900     -0.5974000      -1.631400    
 C    6.640800      -1.451100     -0.5170000    
 C   -6.772800      -1.255900     -0.5266000    
 C    5.810400      -2.565500     -0.7486000    
 H   -1.364100       1.083000      -1.452200    
 H   -2.733400      0.6828000      -2.365900    
 H    3.762300       2.736400       1.430900    
 H    5.400100       2.179500       1.213300    
 H   -2.180100     -0.2487000       2.902700    
 H   -4.394600      -1.302000       2.828000    
 H  -0.9596000       2.115200       1.169800    
 H   -4.643900      0.5069000      -2.442600    
 H    1.481500       2.120600      0.9475000    
 H    6.762200      0.6279000      4.3900002E-02
 H   -6.491400      -1.851300       1.516000    
 H   0.1376000     -0.6257000      0.3213000    
 H   -3.940300       2.756200      -1.432100    
 H   -2.426300       3.165800      -2.250000    
 H   -2.502300       3.132100     -0.4833000    
 H    3.781600      -3.322300     -0.7705000    
 H    5.227300       2.675200      -1.255800    
 H    3.564700       3.227200      -1.013200    
 H    4.907200       4.105100     -0.2598000    
 H   -6.803600     -0.5348000      -2.554200    
 H    7.715600      -1.552000     -0.6451000    
 H   -7.757800      -1.709100     -0.5938000    
 H    6.255800      -3.509700      -1.051100    


%chk=000126319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126319

1 1
O 2.932740 -1.025908 0.440846
N -3.318604 0.749167 -0.631549
N 4.099618 0.909281 0.220348
C -4.585253 0.123201 -0.491540
C 5.050604 -0.113515 0.474175
C -2.127633 0.125930 -0.231383
C 2.832220 0.352847 0.186604
C -3.268202 2.121184 -1.227004
C -4.649077 -1.239244 -0.031469
C 4.424667 2.328778 -0.041739
C 4.319371 -1.315128 0.619174
C -2.215544 -1.241037 0.225820
C -3.421125 -1.905459 0.310052
C -0.880130 0.832150 -0.270776
C -5.800838 0.801627 -0.794516
C 1.595057 0.966672 -0.049125
C 6.451143 -0.103802 0.597838
C -5.911845 -1.888733 0.087337
C 0.375317 0.251378 -0.031393
C -3.401471 3.240253 -0.174684
C 4.906855 -2.549958 0.890675
C 4.678801 2.613186 -1.535887
C -7.031578 0.136453 -0.665716
C 7.071502 -1.346968 0.873918
C -7.097160 -1.214990 -0.230266
C 6.320113 -2.543003 1.017654
H -2.324069 2.211346 -1.786736
H -4.068372 2.191218 -1.979924
H 3.596361 2.947635 0.344517
H 5.314793 2.576961 0.561983
H -1.296314 -1.743198 0.529181
H -3.458228 -2.942234 0.660596
H -0.886078 1.905054 -0.481578
H -5.809722 1.845648 -1.112609
H 1.596233 2.041027 -0.257827
H 7.043315 0.808769 0.486730
H -5.936743 -2.927250 0.435193
H 0.450931 -0.823749 0.172507
H -4.359282 3.171597 0.368719
H -3.359797 4.225576 -0.671198
H -2.588748 3.195794 0.570674
H 4.317117 -3.463078 0.998535
H 5.519076 2.010848 -1.921510
H 3.786185 2.390308 -2.145695
H 4.931518 3.678967 -1.672857
H -7.954589 0.676100 -0.900756
H 8.160067 -1.385497 0.977546
H -8.064866 -1.716345 -0.139004
H 6.839961 -3.481759 1.229923


