%chk=000047459.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047459

1 1
 O  -0.1023000       1.941400      -1.212400    
 N   -2.790500     -0.1358000      8.9900002E-02
 C  -0.1508000     -0.1295000      8.2099997E-02
 C   -2.273900      -1.355100     -0.6740000    
 C   -2.267100     -0.2025000       1.524400    
 C  -0.7409000      -1.354200     -0.6632000    
 C  -0.7383000     -0.1191000       1.516100    
 C   -2.272600       1.139200     -0.5869000    
 C  -0.7632000       1.079100     -0.6400000    
 C   -4.309900     -0.1329000      9.3999997E-02
 C    1.337300     -0.1255000      8.0300003E-02
 C    2.036100      0.9313000      0.6678000    
 C    2.040000      -1.178500     -0.5092000    
 C    3.430900      0.9350000      0.6658000    
 C    3.434900      -1.174900     -0.5111000    
 C    4.130300     -0.1182000      7.6499999E-02
 H   -2.666300      -1.298200      -1.696000    
 H   -2.677900      -2.251700     -0.1896000    
 H   -2.615400      -1.144600       1.963200    
 H   -2.707100      0.6324000       2.081800    
 H  -0.4202000      -2.294200     -0.1944000    
 H  -0.4081000      -1.383100      -1.710100    
 H  -0.4452000      0.7939000       2.051000    
 H  -0.3306000     -0.9515000       2.104900    
 H   -2.600700       1.995200      9.9999998E-03
 H   -2.683800       1.171400      -1.600300    
 H   -4.658900     -0.1017000     -0.9423000    
 H   -4.656700      -1.045500      0.5873000    
 H   -4.652500      0.7514000      0.6393000    
 H    1.513500       1.764000       1.130900    
 H    1.568500      -2.031600     -0.9828000    
 H    3.972600       1.758100       1.122600    
 H    3.980700      -1.994400     -0.9696000    
 H    5.216400     -0.1152000      7.4800000E-02


%chk=000047459-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047459

1 1
O -0.172830 1.983543 -1.295699
N -2.843145 -0.130142 0.104465
C -0.157873 -0.151795 0.016026
C -2.336266 -1.310498 -0.751888
C -2.262689 -0.271360 1.528276
C -0.786029 -1.387151 -0.713393
C -0.715179 -0.150826 1.488453
C -2.308459 1.161803 -0.517571
C -0.769464 1.088808 -0.668429
C -4.363858 -0.118696 0.147483
C 1.374002 -0.150606 0.023692
C 2.058663 0.975828 0.551862
C 2.134574 -1.250821 -0.444882
C 3.466666 0.998890 0.615353
C 3.546363 -1.228518 -0.380572
C 4.217086 -0.106058 0.151079
H -2.721555 -1.139222 -1.771148
H -2.810264 -2.220757 -0.349123
H -2.600007 -1.252720 1.901272
H -2.731822 0.514656 2.143348
H -0.468588 -2.298542 -0.178396
H -0.394832 -1.453700 -1.742008
H -0.383469 0.762467 2.009133
H -0.258106 -1.003764 2.018061
H -2.586485 2.011201 0.131965
H -2.779148 1.308363 -1.505057
H -4.755639 -0.095172 -0.881199
H -4.717901 -1.026529 0.660077
H -4.703675 0.773637 0.695603
H 1.499702 1.854520 0.894677
H 1.650464 -2.136606 -0.868784
H 3.978199 1.878967 1.018208
H 4.119212 -2.086082 -0.748445
H 5.310654 -0.088617 0.198360


