%chk=000095501.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095501

0 1
 O    4.396300      0.8293000      -1.718900    
 O    3.531800      -2.666000       1.218800    
 O    4.029600      -3.266100     -0.9610000    
 O   -6.442100      -1.639200     -0.6893000    
 N   0.7934000       1.999800      0.6099000    
 N   -1.760900     -0.7323000      0.4007000    
 C    3.167400       1.323100      0.3772000    
 C    2.755400     -0.1639000      0.5112000    
 C   0.3623000      0.6050000      0.9097000    
 C    1.270300     -0.3792000      0.1597000    
 C    2.154800       2.224500       1.106000    
 C    3.380400       1.662700      -1.122000    
 C   -1.081700      0.4444000      0.5427000    
 C  -0.1517000       2.996400       1.158100    
 C   -1.971200       1.481900      0.3580000    
 C   -1.532400       2.900200      0.4671000    
 C    3.635200      -1.007100     -0.3621000    
 C   -3.239800      0.9160000      5.9400000E-02
 C    3.832000       3.103000      -1.351100    
 C    4.372000     -0.4896000      -1.350900    
 C   -3.080200     -0.4737000      9.2200004E-02
 C    3.760600      -2.441700     -0.1003000    
 C   -4.512500       1.445100     -0.2339000    
 C   -4.135900      -1.358900     -0.1541000    
 C   -5.575900      0.5701000     -0.4834000    
 C   -5.388200     -0.8099000     -0.4436000    
 C    3.619800      -4.033000       1.633800    
 C   -6.188700      -3.041100     -0.6342000    
 H    4.138700       1.442500      0.8810000    
 H    2.897800     -0.4242000       1.568300    
 H   0.4470000      0.4185000       1.990300    
 H   0.9888000      -1.410000      0.4132000    
 H    1.112300     -0.2834000     -0.9238000    
 H    2.204000       2.029700       2.186100    
 H    2.441800       3.273500      0.9759000    
 H    2.456200       1.505900      -1.692200    
 H   0.2303000       4.012400      0.9997000    
 H  -0.2640000       2.856800       2.241700    
 H   -1.467400       3.327700     -0.5411000    
 H   -2.265400       3.487200       1.031500    
 H   -1.363500      -1.655900      0.5027000    
 H    3.053100       3.823400      -1.087800    
 H    4.732900       3.326700     -0.7693000    
 H    4.092000       3.258700      -2.404200    
 H    5.062900      -1.052500      -1.964400    
 H   -4.674300       2.518700     -0.2677000    
 H   -3.928400      -2.420600     -0.1077000    
 H   -6.557300      0.9799000     -0.7096000    
 H    2.870900      -4.635800       1.111300    
 H    3.418400      -4.075900       2.707400    
 H    4.626200      -4.420900       1.448900    
 H   -5.473600      -3.352500      -1.403200    
 H   -7.133500      -3.548700     -0.8547000    
 H   -5.884700      -3.357100      0.3695000    


%chk=000095501-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095501

0 1
O 4.422800 0.887305 -1.746874
O 3.189565 -2.824578 1.079732
O 4.735386 -3.192187 -0.633705
O -6.529828 -1.663542 -0.637212
N 0.816447 2.039876 0.637264
N -1.719531 -0.758787 0.484354
C 3.217299 1.392131 0.384670
C 2.825710 -0.108187 0.532710
C 0.409739 0.632084 0.933425
C 1.333611 -0.340580 0.161452
C 2.193533 2.282339 1.123949
C 3.368657 1.768803 -1.106056
C -1.047261 0.474910 0.586283
C -0.160928 3.044080 1.140373
C -1.939940 1.508514 0.326817
C -1.501569 2.949804 0.374614
C 3.767760 -0.967011 -0.294212
C -3.226568 0.904212 0.039896
C 3.835612 3.195552 -1.384413
C 4.493711 -0.418554 -1.324329
C -3.058523 -0.521497 0.148346
C 3.976129 -2.397110 -0.018030
C -4.512098 1.410197 -0.292883
C -4.113677 -1.439737 -0.062196
C -5.572542 0.516531 -0.506546
C -5.374184 -0.893626 -0.392983
C 3.357260 -4.247550 1.445858
C -6.400827 -3.115545 -0.543993
H 4.207289 1.544785 0.863324
H 2.944599 -0.387908 1.598400
H 0.553246 0.426961 2.033324
H 1.079912 -1.388979 0.407301
H 1.171391 -0.200313 -0.922516
H 2.283136 2.073374 2.223619
H 2.435276 3.350629 0.979634
H 2.428306 1.560579 -1.648714
H 0.283832 4.047200 1.002925
H -0.352717 2.908397 2.235454
H -1.371755 3.356750 -0.648086
H -2.255601 3.583017 0.882831
H -1.291635 -1.673664 0.606970
H 3.024230 3.913738 -1.176759
H 4.714365 3.457428 -0.768236
H 4.115130 3.296151 -2.447059
H 5.218920 -1.000254 -1.902070
H -4.681413 2.488701 -0.385519
H -3.954501 -2.518468 0.026691
H -6.574931 0.870551 -0.765223
H 3.082463 -4.900000 0.599498
H 2.683418 -4.401604 2.301384
H 4.404507 -4.452720 1.725906
H -5.668648 -3.505294 -1.279441
H -7.401218 -3.511495 -0.774216
H -6.102043 -3.431506 0.475767


