%chk=000113463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113463

0 1
 O   4.1999999E-03   1.427600      -1.215500    
 O   -2.945500     -0.1322000      1.8200001E-02
 O   -4.242200       1.760100      0.1961000    
 N  -0.7854000      0.9970000      0.9222000    
 C    1.246000     -0.1094000      0.1797000    
 C   0.8507000      -1.545500     -0.2264000    
 C    2.507200      0.3242000     -0.5980000    
 C    1.905900      -2.627200      8.9900002E-02
 C    2.988200       1.764100     -0.3187000    
 C   9.9600002E-02  0.8503000     -0.1338000    
 C    2.174400      -2.658400       1.597400    
 C    1.481100      -4.017400     -0.3851000    
 C    3.340300       1.987700       1.152800    
 C    4.208000       2.077000      -1.190700    
 C   -1.934500       1.867200      0.8458000    
 C   -3.170900       1.175800      0.3211000    
 C   -4.072600     -0.8569000     -0.4854000    
 C   -3.654300      -2.283900     -0.7695000    
 H    1.442500     -6.7000002E-02   1.255400    
 H   0.6311000      -1.567900      -1.302600    
 H  -9.3699999E-02  -1.809000      0.2693000    
 H    2.326600      0.2168000      -1.676200    
 H    3.337700     -0.3482000     -0.3552000    
 H    2.843300      -2.398600     -0.4275000    
 H    2.206600       2.481200     -0.5921000    
 H    1.247100      -2.781300       2.167200    
 H    2.672900      -1.746500       1.938700    
 H    2.836900      -3.492800       1.853900    
 H   0.5578000      -4.339300      0.1085000    
 H    2.257800      -4.759400     -0.1720000    
 H    1.304300      -4.017700      -1.465800    
 H    4.080200       1.258400       1.499500    
 H    2.455200       1.906700       1.790900    
 H    3.756900       2.989300       1.305000    
 H    5.045700       1.410700     -0.9580000    
 H    3.966700       1.961600      -2.252800    
 H    4.543000       3.108200      -1.036300    
 H  -0.6474000      0.4599000       1.773200    
 H   -1.705900       2.714300      0.1922000    
 H   -2.138900       2.220000       1.860700    
 H   -4.875300     -0.8480000      0.2604000    
 H   -4.427500     -0.3846000      -1.408200    
 H   -2.837800      -2.307700      -1.498900    
 H   -3.280000      -2.764000      0.1407000    
 H   -4.493100      -2.867900      -1.158100    


%chk=000113463-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113463

0 1
O 0.245276 1.529908 -1.710320
O -3.035321 -0.237650 0.255072
O -4.395463 1.569006 -0.316779
N -0.775280 1.207332 0.353834
C 1.332317 -0.002634 -0.104180
C 0.954376 -1.403887 -0.684729
C 2.730104 0.474649 -0.565493
C 1.862131 -2.586102 -0.249062
C 3.192736 1.838721 0.014808
C 0.247269 0.984037 -0.564049
C 1.894770 -2.769461 1.286707
C 1.382921 -3.884980 -0.941017
C 3.356606 1.802585 1.553803
C 4.517116 2.270693 -0.658125
C -1.982088 1.936357 -0.014222
C -3.265062 1.102041 -0.054027
C -4.230642 -1.138679 0.202957
C -3.731142 -2.548029 0.502099
H 1.306917 -0.067160 1.002445
H 0.963409 -1.327979 -1.790556
H -0.090432 -1.643073 -0.391662
H 2.708975 0.548308 -1.670422
H 3.483494 -0.294489 -0.300165
H 2.896352 -2.382740 -0.594791
H 2.421606 2.594733 -0.239323
H 0.871655 -2.925277 1.682863
H 2.330559 -1.893066 1.801019
H 2.500575 -3.651957 1.564282
H 0.352904 -4.141165 -0.623380
H 2.036942 -4.739218 -0.684861
H 1.379560 -3.776284 -2.041671
H 4.099853 1.036200 1.850195
H 2.406196 1.575066 2.070900
H 3.711478 2.778959 1.933201
H 5.321880 1.538603 -0.448582
H 4.400375 2.342626 -1.755279
H 4.853808 3.256459 -0.286143
H -0.779844 0.667273 1.219957
H -1.808930 2.351069 -1.025909
H -2.172191 2.793804 0.659189
H -4.966921 -0.779437 0.944619
H -4.682699 -1.050897 -0.801087
H -2.981259 -2.865385 -0.242807
H -3.274924 -2.603177 1.505477
H -4.577057 -3.258402 0.467216


