%chk=000040728.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040728

0 1
 O    2.363500       1.006200       2.500600    
 N   -2.616900     -0.1494000     -0.3496000    
 C   -3.960800      0.2576000     -0.7837000    
 C   -2.577000      -1.580100     -1.6100001E-02
 C   -4.999000     -1.7300000E-02  0.3051000    
 C   -3.570000      -1.915100       1.098100    
 C   -4.984100      -1.481700      0.7289000    
 C   -1.629400      0.1630000      -1.382200    
 C   -1.585500       1.672600      -1.632400    
 C   -1.223600       2.470100     -0.3770000    
 C   8.8100001E-02   2.087600      0.1623000    
 C    2.467400       1.339300       1.116600    
 C    1.158800       1.759500      0.5963000    
 C    3.013600      0.1498000      0.3613000    
 C    2.710000      -1.128700      0.7993000    
 C    3.806700      0.3612000     -0.7546000    
 C    3.213800      -2.226700      0.1021000    
 C    4.310400     -0.7368000      -1.451700    
 C    4.013900      -2.030800      -1.023300    
 H   -4.024700       1.332000     -0.9748000    
 H   -4.249300     -0.2606000      -1.707700    
 H   -2.794800      -2.193700     -0.9002000    
 H   -1.572700      -1.852900      0.3306000    
 H   -5.997700      0.2508000     -5.8200002E-02
 H   -4.794700      0.6173000       1.177000    
 H   -3.264400      -1.413900       2.025300    
 H   -3.553700      -2.992700       1.297000    
 H   -5.658600      -1.634700       1.578300    
 H   -5.354900      -2.104700     -9.4300002E-02
 H   -1.867000     -0.3500000      -2.323500    
 H  -0.6366000     -0.1906000      -1.079200    
 H   -2.506800       2.058000      -2.079600    
 H  -0.8117000       1.853000      -2.392000    
 H   -1.202900       3.535400     -0.6368000    
 H   -1.993800       2.358400      0.3939000    
 H    3.182900       2.167700       1.050600    
 H    2.078100      -1.307400       1.664200    
 H    4.041900       1.364900      -1.097000    
 H    2.980200      -3.234400      0.4333000    
 H    4.933000     -0.5845000      -2.328600    
 H    4.405300      -2.885800      -1.566900    
 H    2.089900       1.809100       2.976800    


%chk=000040728-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040728

0 1
O 2.408682 0.573684 2.591207
N -2.878195 -0.104791 -0.367221
C -4.203837 0.057816 -1.017637
C -2.790524 -1.400277 0.357195
C -5.347733 -0.007834 0.015710
C -3.886163 -1.509165 1.436512
C -5.289121 -1.330535 0.812981
C -1.748769 0.092485 -1.311634
C -1.483110 1.581639 -1.622730
C -1.102156 2.388482 -0.348547
C 0.193580 1.981212 0.222914
C 2.573805 1.155437 1.237273
C 1.277922 1.600641 0.679077
C 3.247326 0.098050 0.355202
C 3.095083 -1.279914 0.633932
C 4.006513 0.504804 -0.768039
C 3.695431 -2.242741 -0.208693
C 4.602502 -0.457982 -1.613019
C 4.447081 -1.836524 -1.335848
H -4.228586 1.030616 -1.541962
H -4.364352 -0.739294 -1.793508
H -2.889617 -2.267038 -0.350452
H -1.789487 -1.467597 0.822196
H -6.319491 0.092865 -0.505417
H -5.249593 0.847956 0.711830
H -3.716442 -0.721306 2.196084
H -3.805176 -2.489338 1.944840
H -6.069151 -1.346727 1.597610
H -5.498531 -2.180344 0.130115
H -1.912088 -0.461625 -2.270688
H -0.837994 -0.330577 -0.847098
H -2.378671 2.048750 -2.075785
H -0.669558 1.650910 -2.369583
H -1.084342 3.471829 -0.578042
H -1.898860 2.217302 0.402324
H 3.245494 2.038889 1.307099
H 2.528441 -1.577499 1.520723
H 4.129639 1.573212 -0.985631
H 3.580263 -3.309297 0.016333
H 5.189981 -0.134663 -2.479830
H 4.912358 -2.584816 -1.987569
H 1.734347 1.114308 3.075976


