%chk=000048918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048918

0 1
 O    1.842300     -5.2999999E-02 -3.3100002E-02
 O    2.733100      -1.964300     -0.9347000    
 N   -1.842600     -2.5300000E-02  4.4300001E-02
 C   -2.810500       1.001800      0.4277000    
 C  -0.4773000      0.4552000      0.2541000    
 C   -4.224000      0.5662000      0.1694000    
 C   0.5334000     -0.5674000     -0.2404000    
 C   -2.074100      -1.254300      0.8025000    
 C   -4.812700      0.8361000      -1.060400    
 C   -4.929600     -0.1030000       1.162500    
 C   -6.125800      0.4313000      -1.300600    
 C   -6.242700     -0.5079000      0.9222000    
 C   -6.840700     -0.2407000     -0.3094000    
 C    2.882300     -0.8573000     -0.4277000    
 C    4.174000     -0.2217000     -0.1631000    
 C    5.284700      -1.010300      0.1143000    
 C    4.277600       1.164300     -0.1922000    
 C    6.515800     -0.4048000      0.3662000    
 C    5.508800       1.769800      5.9700001E-02
 C    6.627900      0.9851000      0.3388000    
 H   -2.622300       1.922200     -0.1416000    
 H   -2.699300       1.282100       1.484800    
 H  -0.2845000      0.6895000       1.309800    
 H  -0.3151000       1.390400     -0.2977000    
 H   0.3849000     -0.7669000      -1.308600    
 H   0.4807000      -1.506800      0.3152000    
 H   -1.394300      -2.061100      0.5165000    
 H   -3.048100      -1.699600      0.5814000    
 H   -1.986600      -1.103100       1.884800    
 H   -4.265000       1.357000      -1.841000    
 H   -4.483800     -0.3057000       2.132400    
 H   -6.591300      0.6390000      -2.259600    
 H   -6.800700      -1.028300       1.695100    
 H   -7.863200     -0.5553000     -0.4961000    
 H    5.212300      -2.094300      0.1417000    
 H    3.426000       1.799700     -0.4193000    
 H    7.387100      -1.015500      0.5841000    
 H    5.597200       2.852100      3.5599999E-02
 H    7.586500       1.456600      0.5343000    


%chk=000048918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048918

0 1
O 1.837023 -0.038425 0.049518
O 2.725383 -1.735120 -1.277204
N -1.871901 -0.257523 0.521272
C -2.877274 0.789531 0.830199
C -0.476425 0.210241 0.687502
C -4.263067 0.472093 0.272521
C 0.482693 -0.615284 -0.179581
C -2.148685 -1.522281 1.238963
C -4.404960 -0.119016 -1.008522
C -5.427952 0.809634 1.003858
C -5.686807 -0.361671 -1.548831
C -6.713365 0.572415 0.463460
C -6.846766 -0.013823 -0.816009
C 2.896131 -0.707476 -0.574655
C 4.211467 -0.058306 -0.303237
C 5.370480 -0.637814 -0.882424
C 4.328478 1.103071 0.504196
C 6.636420 -0.060202 -0.656396
C 5.597753 1.677154 0.727796
C 6.752418 1.098149 0.149095
H -2.517290 1.733385 0.374031
H -2.962199 0.979999 1.930941
H -0.132894 0.173688 1.750711
H -0.414319 1.264307 0.360784
H 0.226662 -0.532160 -1.250038
H 0.505452 -1.685138 0.092371
H -1.463573 -2.317857 0.901304
H -3.178191 -1.851044 1.020240
H -2.042464 -1.417115 2.347779
H -3.498008 -0.395266 -1.557974
H -5.330285 1.258410 2.000753
H -5.783181 -0.820477 -2.539713
H -7.606199 0.838456 1.040910
H -7.841771 -0.201494 -1.235318
H 5.254386 -1.533580 -1.501518
H 3.428096 1.540333 0.944388
H 7.529617 -0.508491 -1.104618
H 5.688864 2.573536 1.350835
H 7.736655 1.546963 0.324509


