%chk=000049641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049641

0 1
 O   0.9995000       1.502300     -5.8400001E-02
 O  -0.6864000       1.799200       1.492900    
 N    5.089500      -1.473700     -0.4157000    
 C   -1.072700      0.5224000     -0.5070000    
 C   -1.037000     -0.9567000     -0.1635000    
 C   -2.557400      0.8261000     -0.4102000    
 C   -2.342700      -1.434400      9.1700003E-02
 C   -3.276600     -0.3392000     -5.9700001E-02
 C  -0.2603000       1.346100      0.4391000    
 C   6.2500000E-02  -1.796900     -0.1008000    
 C   -3.202700       2.031800     -0.6306000    
 C   -2.554800      -2.762900      0.4214000    
 C   -4.654100     -0.3010000      8.1699997E-02
 C  -0.1520000      -3.135700      0.2316000    
 C   -4.590800       2.069500     -0.4877000    
 C   -1.447600      -3.613700      0.4909000    
 C   -5.309100      0.9150000     -0.1341000    
 C    1.889200       2.276400      0.7523000    
 C    3.253500       2.368000      7.7600002E-02
 C    3.899800       1.015000     -9.5899999E-02
 C    4.716000      0.5186000      0.9019000    
 C    3.666200      0.2934000      -1.250300    
 C    5.285600     -0.7273000      0.6944000    
 C    4.282700     -0.9424000      -1.361600    
 H  -0.7558000      0.6799000      -1.544700    
 H    1.063600      -1.434000     -0.3032000    
 H   -2.651400       2.924100     -0.9063000    
 H   -3.549200      -3.147700      0.6218000    
 H   -5.223000      -1.184600      0.3513000    
 H   0.6919000      -3.817900      0.2897000    
 H   -5.124000       3.002100     -0.6526000    
 H   -1.589700      -4.660300      0.7473000    
 H   -6.389600      0.9690000     -2.9300001E-02
 H    1.477500       3.285000      0.8740000    
 H    1.980700       1.806500       1.739000    
 H    3.146700       2.838300     -0.9084000    
 H    3.913200       3.022100      0.6609000    
 H    4.910100       1.068800       1.815500    
 H    3.028800      0.6639000      -2.045100    
 H    5.935300      -1.172200       1.440800    
 H    4.137700      -1.557800      -2.243300    


%chk=000049641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049641

0 1
O 0.997060 1.730055 -0.211139
O -0.621883 2.236604 1.388253
N 4.698598 -1.891602 -0.146967
C -1.164998 0.768304 -0.558697
C -0.939484 -0.723911 -0.250001
C -2.669175 0.927271 -0.359000
C -2.187676 -1.345421 0.050704
C -3.254973 -0.328829 -0.022408
C -0.298204 1.660576 0.330409
C 0.257971 -1.456941 -0.247118
C -3.460578 2.079926 -0.483655
C -2.237468 -2.724744 0.348834
C -4.647886 -0.434892 0.182215
C 0.204521 -2.841257 0.056390
C -4.858906 1.973526 -0.276613
C -1.032714 -3.467062 0.349722
C -5.445583 0.725723 0.051126
C 2.003691 2.460887 0.609567
C 3.362472 2.291045 -0.087507
C 3.845990 0.849324 -0.115450
C 4.300238 0.202043 1.062206
C 3.838193 0.086972 -1.309232
C 4.709265 -1.148598 1.001279
C 4.267648 -1.259864 -1.279808
H -0.873341 0.976674 -1.607025
H 1.213708 -0.971953 -0.470852
H -3.011660 3.049661 -0.725250
H -3.189601 -3.216047 0.578414
H -5.107638 -1.395425 0.440181
H 1.129355 -3.428711 0.065119
H -5.491902 2.863197 -0.366754
H -1.054597 -4.537718 0.582194
H -6.528310 0.662514 0.207790
H 1.707317 3.523833 0.668421
H 2.000278 2.040799 1.631483
H 3.288464 2.691029 -1.114649
H 4.088509 2.924107 0.459666
H 4.339695 0.737350 2.018344
H 3.495834 0.531267 -2.250021
H 5.062417 -1.667689 1.899643
H 4.268455 -1.866923 -2.192413


