%chk=000094070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094070

0 1
 O  -0.5746000       1.876800     -3.8000001E-03
 O   -4.568700      -1.670400     -0.1073000    
 O    7.216500      0.9216000     -7.3799998E-02
 O    5.858100       1.983000      -1.555100    
 N    1.253900      3.0900000E-02 -0.2489000    
 N   -2.944500      -3.697400     -0.3617000    
 C   -1.180100     -0.4087000     -0.1672000    
 C   -2.224000      -1.335800     -0.1948000    
 C   0.1457000     -0.8468000     -0.2697000    
 C   -2.866500       1.483000      7.7500001E-02
 C   -3.910400      0.5558000      5.0299998E-02
 C   -1.463200       1.034600     -3.0300001E-02
 C   -3.627300     -0.8874000     -8.6700000E-02
 C   -1.942200      -2.701000     -0.3256000    
 C   0.4221000      -2.208100     -0.3997000    
 C  -0.6196000      -3.133200     -0.4277000    
 C   -3.148300       2.848200      0.2082000    
 C   -5.236100      0.9938000      0.1536000    
 C    2.579900     -0.1228000      0.1928000    
 C   -4.470900       3.280400      0.3110000    
 C   -5.512500       2.355200      0.2836000    
 C    3.611400      0.5942000     -0.4187000    
 C    2.872400     -0.9946000       1.244700    
 C    4.927000      0.4403000      1.8700000E-02
 C    4.188000      -1.148300       1.682100    
 C    5.215300     -0.4310000       1.069100    
 C    5.998600       1.187600     -0.6206000    
 H    1.435800      -2.582600     -0.5133000    
 H  -0.3845000      -4.189300     -0.5366000    
 H    1.067300      0.9339000     -0.6747000    
 H   -2.355800       3.591400      0.2323000    
 H   -6.067800      0.2947000      0.1352000    
 H   -4.688900       4.339600      0.4124000    
 H   -6.541200       2.694400      0.3638000    
 H   -2.684700      -4.670400     -0.4571000    
 H   -3.921700      -3.451600     -0.2919000    
 H    3.379300       1.271100      -1.238300    
 H    2.091200      -1.547400       1.759400    
 H    4.411300      -1.822300       2.504100    
 H    6.224700     -0.5802000       1.442200    
 H    7.932000       1.430700     -0.5113000    


%chk=000094070-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094070

0 1
O -0.474670 1.902394 0.034803
O -4.683554 -1.696386 -0.181367
O 7.212599 1.178530 -0.244540
O 5.565391 2.397089 -1.335728
N 1.227706 0.000473 0.057614
N -3.039294 -3.680264 -0.309612
C -1.181444 -0.416677 -0.047028
C -2.284710 -1.350740 -0.134900
C 0.175697 -0.901676 -0.031335
C -2.843266 1.503484 0.037337
C -3.926659 0.579922 -0.025214
C -1.440468 1.028350 0.013362
C -3.675257 -0.879900 -0.119664
C -2.021524 -2.760893 -0.234695
C 0.402432 -2.314578 -0.181559
C -0.654072 -3.205884 -0.281463
C -3.109295 2.895560 0.117520
C -5.261304 1.060252 -0.004706
C 2.595105 -0.253257 0.316436
C -4.436190 3.362751 0.139174
C -5.516373 2.441701 0.077983
C 3.550458 0.635221 -0.241809
C 3.048809 -1.297623 1.174090
C 4.927979 0.471869 0.032415
C 4.426743 -1.460466 1.430892
C 5.377816 -0.586628 0.863810
C 5.875240 1.439738 -0.586500
H 1.426952 -2.685805 -0.264024
H -0.451479 -4.275379 -0.414752
H 0.887027 0.997887 -0.007630
H -2.257617 3.580909 0.160988
H -6.071847 0.327095 -0.055865
H -4.637461 4.437633 0.202527
H -6.548479 2.808479 0.094154
H -2.835332 -4.674540 -0.387992
H -4.002469 -3.294229 -0.289178
H 3.232390 1.453950 -0.896446
H 2.324713 -1.947496 1.674756
H 4.755497 -2.265212 2.097206
H 6.446196 -0.701167 1.062015
H 7.791013 1.857413 -0.684875


