%chk=000028757.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028757

0 1
 O    1.093900       2.101500      -2.327800    
 O   -5.186300       1.510000      9.6000001E-02
 O    3.882500      -2.404200      -1.078100    
 O    4.883300       1.478500       1.541700    
 O    5.516700      -1.094600      0.7346000    
 N   -2.747800      8.4799998E-02 -6.7199998E-02
 N  -0.2597000       1.295400     -0.6027000    
 C   -2.581100      0.8898000      -1.289000    
 C   -1.523300     -0.5076000      0.4904000    
 C   -1.477400       1.928600      -1.098700    
 C  -0.4433000      0.5607000      0.6511000    
 C   -3.974700     -0.5622000      0.1215000    
 C   0.9418000       1.453300      -1.293500    
 C   -5.195100      0.1513000      0.2029000    
 C    2.137300      0.7863000     -0.7622000    
 C   -4.041500      -1.971100      0.2385000    
 C   -6.410900     -0.5065000      0.3905000    
 C    2.952900       1.452100      0.1483000    
 C    2.448700     -0.5062000      -1.173700    
 C   -5.257200      -2.628800      0.4261000    
 C   -6.441900      -1.896500      0.5022000    
 C    3.585500      -1.138700     -0.6702000    
 C    4.089700      0.8197000      0.6517000    
 C    4.406000     -0.4757000      0.2425000    
 C   -5.040700       2.253600       1.303900    
 C    3.336600      -3.476600     -0.3126000    
 C    4.575000       1.321100       2.925300    
 C    6.731000     -0.9179000      8.6000003E-03
 H   -3.495700       1.406900      -1.592800    
 H   -2.311700      0.2155000      -2.112600    
 H   -1.161000      -1.298100     -0.1788000    
 H   -1.715700     -0.9511000       1.474800    
 H   -1.780900       2.678500     -0.3583000    
 H   -1.290300       2.451200      -2.042100    
 H   0.4834000      9.6100003E-02  0.9944000    
 H  -0.7419000       1.292900       1.411300    
 H   -3.142300      -2.579000      0.1707000    
 H   -7.337900      5.7300001E-02  0.4495000    
 H    2.708900       2.462200      0.4684000    
 H    1.810700      -1.024900      -1.885200    
 H   -5.282200      -3.711300      0.5098000    
 H   -7.388500      -2.408700      0.6472000    
 H   -5.879900       2.056800       1.978500    
 H   -5.036500       3.317600       1.052000    
 H   -4.095500       2.008500       1.798500    
 H    3.695700      -3.434400      0.7205000    
 H    3.666000      -4.418700     -0.7591000    
 H    2.242700      -3.443400     -0.3320000    
 H    5.297800       1.901000       3.505500    
 H    3.570100       1.698700       3.139400    
 H    4.652200      0.2698000       3.220200    
 H    7.008900      0.1402000     -2.5900001E-02
 H    7.521600      -1.469800      0.5243000    
 H    6.633800      -1.313900      -1.007200    


%chk=000028757-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028757

0 1
O 0.984242 2.843947 -1.265131
O -5.585101 1.496493 -0.310576
O 3.142943 -2.577889 -0.382795
O 5.522565 1.581467 0.900789
O 5.586683 -1.273959 0.488835
N -3.032548 0.141534 0.046463
N -0.443116 1.369335 -0.166022
C -2.718464 1.072595 -1.078200
C -1.833373 -0.561886 0.548309
C -1.636115 2.085211 -0.667820
C -0.753644 0.460841 0.955084
C -4.250362 -0.596430 -0.043208
C 0.826348 1.793179 -0.562734
C -5.504301 0.078521 -0.222779
C 2.018565 0.950470 -0.179537
C -4.286437 -2.016185 0.063788
C -6.705605 -0.642986 -0.355980
C 3.193678 1.614141 0.245250
C 2.025546 -0.456616 -0.333695
C -5.498431 -2.733520 -0.037514
C -6.714470 -2.053715 -0.267477
C 3.201583 -1.203565 -0.092524
C 4.359762 0.875073 0.518168
C 4.392334 -0.536165 0.312893
C -5.308423 2.195959 0.963660
C 3.667363 -3.516167 0.634727
C 6.073537 1.216730 2.226929
C 6.630333 -0.968507 -0.525396
H -3.639492 1.605952 -1.361251
H -2.359214 0.493800 -1.959605
H -1.408600 -1.256076 -0.217018
H -2.111531 -1.157859 1.435899
H -2.029395 2.756614 0.123728
H -1.326050 2.706981 -1.522729
H 0.156288 -0.058430 1.289138
H -1.141268 1.063238 1.804592
H -3.353147 -2.572397 0.194704
H -7.627839 -0.072980 -0.510264
H 3.211843 2.702586 0.346254
H 1.145368 -0.996380 -0.696430
H -5.484631 -3.826244 0.042826
H -7.654526 -2.606302 -0.365804
H -6.068789 1.922102 1.719867
H -5.379214 3.270294 0.733349
H -4.298759 1.944409 1.338609
H 4.733988 -3.325969 0.834824
H 3.521101 -4.515900 0.198399
H 3.083325 -3.425753 1.571255
H 6.980458 1.829254 2.342558
H 5.345849 1.469692 3.021276
H 6.322456 0.141449 2.270249
H 6.894269 0.103320 -0.494493
H 7.496398 -1.589339 -0.249952
H 6.267819 -1.243967 -1.532392


