%chk=000052414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052414

0 1
 O    2.506600      0.9223000     -0.6332000    
 O    2.040900       2.400900       1.070200    
 N   -1.072500       3.721200      2.8999999E-02
 C  -0.4667000      0.2310000      0.5400000    
 C   0.2196000       1.430400     -0.2481000    
 C   -1.933200     -7.2700001E-02  9.5500000E-02
 C   0.3809000      -1.049700      0.2945000    
 C  -0.5313000      0.6250000       2.052400    
 C    1.678400       1.662500      0.1627000    
 C   -2.582200      -1.088200      0.7278000    
 C   0.4603000      -1.521700     -0.9829000    
 C   -2.461200      0.6994000     -0.8931000    
 C   0.9925000      -1.621200       1.371700    
 C  -0.5062000       2.715000     -8.9299999E-02
 C   -3.891600      -1.359300      0.3310000    
 C    1.220500      -2.670300      -1.203300    
 C   -3.770700      0.4284000      -1.289500    
 C    1.752900      -2.769700       1.151200    
 C   -4.486000     -0.6010000     -0.6774000    
 C    1.866900      -3.294100     -0.1363000    
 C    3.904900       1.044300     -0.3552000    
 C    4.677200      0.1677000      -1.317800    
 H   0.2421000       1.221000      -1.327200    
 H  -0.9364000     -0.1691000       2.690600    
 H   -1.191400       1.487700       2.206100    
 H   0.4477000      0.8984000       2.459900    
 H   -2.136100      -1.694300       1.507800    
 H  -3.5700001E-02  -1.050400      -1.824100    
 H   -1.953000       1.454900      -1.470300    
 H   0.9469000      -1.257200       2.388800    
 H   -4.447700      -2.162800      0.8054000    
 H    1.309900      -3.078400      -2.205800    
 H   -4.228600       1.005800      -2.087600    
 H    2.258300      -3.255100       1.981000    
 H   -5.503900     -0.8152000     -0.9896000    
 H    2.459700      -4.187700     -0.3081000    
 H    4.211900       2.089000     -0.4776000    
 H    4.100900      0.7251000      0.6745000    
 H    5.752800      0.2377000      -1.133900    
 H    4.368700     -0.8782000      -1.217800    
 H    4.475000      0.4608000      -2.353200    


%chk=000052414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052414

0 1
O 2.528269 1.028390 -0.793115
O 2.216510 1.670655 1.425414
N -0.730224 3.828207 0.289681
C -0.530439 0.232912 0.678576
C 0.262499 1.382456 -0.099722
C -1.925336 -0.014952 0.044796
C 0.335065 -1.050575 0.547380
C -0.739459 0.669338 2.156861
C 1.755275 1.390549 0.298462
C -2.688417 -1.109912 0.535551
C 0.356832 -1.757488 -0.684630
C -2.496620 0.792070 -0.969735
C 1.154083 -1.518846 1.604896
C -0.295209 2.730740 0.118356
C -3.977414 -1.384486 0.036809
C 1.167432 -2.898888 -0.854303
C -3.790400 0.518742 -1.474370
C 1.964140 -2.666449 1.440432
C -4.538200 -0.567692 -0.973930
C 1.976494 -3.361123 0.210693
C 4.003785 0.900495 -0.542075
C 4.642021 0.518816 -1.871930
H 0.227150 1.159861 -1.181846
H -1.173377 -0.157081 2.744910
H -1.441752 1.519087 2.199367
H 0.206590 0.987888 2.625928
H -2.258606 -1.761900 1.304924
H -0.281210 -1.421553 -1.510529
H -1.958184 1.652677 -1.377841
H 1.170376 -0.989718 2.562073
H -4.542693 -2.235858 0.432288
H 1.163574 -3.431209 -1.812146
H -4.210399 1.161357 -2.256155
H 2.583681 -3.015031 2.274543
H -5.540440 -0.777411 -1.363519
H 2.601849 -4.252055 0.084348
H 4.368601 1.866637 -0.149852
H 4.142672 0.129189 0.236550
H 5.733541 0.405196 -1.740825
H 4.235086 -0.437049 -2.243219
H 4.463952 1.296214 -2.634295


