%chk=000129205.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129205

0 1
 O    3.074300       3.247000       1.372000    
 O    2.563700       3.087100     -0.8334000    
 O   0.2113000      0.4884000       1.027900    
 O   -2.299100       1.359900      -1.413200    
 O   -7.513500      -1.212400       1.082700    
 N    2.028500      0.4164000     -0.4204000    
 N    7.821400      -3.088100     -6.6799998E-02
 N   -1.428000     -0.6849000     -0.7475000    
 C    4.426800      0.6277000      0.1291000    
 C    4.712300     -0.8642000      0.3425000    
 C    2.991100       1.053700      0.4407000    
 C    6.171900      -1.245400      7.3600002E-02
 C    6.436300      -2.744700      0.2313000    
 C    2.832100       2.547300      0.2321000    
 C   0.7078000      0.1841000     -5.3800002E-02
 C  -8.2099997E-02 -0.4492000      -1.179300    
 C   -2.445400      0.2531000     -0.9012000    
 C   -3.780800     -0.1334000     -0.3774000    
 C   -4.679700      0.8506000      3.4600001E-02
 C   -4.136100      -1.479900     -0.2980000    
 C   -5.933800      0.4880000      0.5259000    
 C   -5.390100      -1.842500      0.1933000    
 C   -6.288900     -0.8586000      0.6052000    
 H    5.114300       1.211300      0.7552000    
 H    4.670500      0.8876000     -0.9099000    
 H    4.454100      -1.136200       1.373300    
 H    4.063400      -1.456100     -0.3142000    
 H    2.732800      0.8152000       1.479200    
 H    6.821800     -0.6837000      0.7567000    
 H    6.439300     -0.9359000     -0.9449000    
 H    2.316700      0.1889000      -1.368100    
 H    6.200100      -3.056700       1.254800    
 H    5.781800      -3.308100     -0.4427000    
 H  -7.3899999E-02  0.2134000      -2.050500    
 H   0.3649000      -1.412100      -1.443800    
 H    8.442400      -2.589700      0.5693000    
 H    7.969100      -4.081200      0.1082000    
 H   -1.599400      -1.549300     -0.2451000    
 H    2.993500       4.214400       1.230700    
 H   -4.419800       1.904700     -1.5300000E-02
 H   -3.478300      -2.274900     -0.6364000    
 H   -6.624800       1.264000      0.8442000    
 H   -5.664400      -2.892600      0.2465000    
 H   -8.003900     -0.4066000       1.320100    


%chk=000129205-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129205

0 1
O 4.873219 3.460091 1.605353
O 3.704038 4.060189 -0.311533
O 0.990394 0.394037 1.161939
O -2.486056 0.974961 -2.228680
O -6.711469 -2.733978 0.982004
N 2.268310 1.720573 -0.265482
N 5.956478 -4.053375 -0.160623
N -1.165254 0.407310 -0.421604
C 4.565832 0.776282 0.256624
C 4.108141 -0.694779 0.344663
C 3.434070 1.788608 0.626493
C 5.262679 -1.677281 0.049263
C 4.817704 -3.153138 0.113507
C 3.977963 3.213162 0.569124
C 1.113347 1.059461 0.084079
C -0.037590 1.177296 -0.927238
C -2.351161 0.346993 -1.124056
C -3.463238 -0.475994 -0.535805
C -4.725878 -0.408109 -1.177121
C -3.323227 -1.315041 0.603828
C -5.825019 -1.143838 -0.697640
C -4.412581 -2.058611 1.093415
C -5.665735 -1.969768 0.442971
H 5.409627 0.949902 0.951535
H 4.930767 0.998229 -0.766418
H 3.689183 -0.891052 1.351519
H 3.282371 -0.869488 -0.372606
H 3.086374 1.563347 1.651684
H 6.083685 -1.512746 0.779812
H 5.690497 -1.489132 -0.954588
H 2.285830 2.330546 -1.089285
H 4.321856 -3.333899 1.099758
H 4.049297 -3.329988 -0.663767
H -0.318666 2.240333 -1.072583
H 0.278707 0.805191 -1.922307
H 6.714662 -3.980391 0.525864
H 5.695204 -5.028289 -0.336035
H -1.011967 -0.033043 0.491580
H 5.239638 4.382322 1.523759
H -4.814193 0.233871 -2.059455
H -2.361766 -1.416980 1.120062
H -6.796542 -1.077550 -1.204573
H -4.314516 -2.709468 1.966830
H -7.544818 -2.610366 0.462933


