%chk=000052371.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052371

0 1
 O   -1.182000       2.267700       1.435500    
 N  -0.1616000       1.906100      0.5543000    
 C   0.6495000     -1.8800000E-02 -0.8510000    
 C    1.615400      0.8890000      -1.667800    
 C    1.860100     -0.5252000     -0.1381000    
 C    2.717700      0.2648000     -0.8650000    
 C  -0.3200000      0.6855000      0.1416000    
 C   -1.525100     -8.1799999E-02  0.6524000    
 C   -2.748200      0.1173000     -0.2402000    
 C    2.308400      -1.388400      0.8338000    
 C    4.077900      0.2416000     -0.6660000    
 C   -3.978600     -0.6374000      0.2713000    
 C    3.686300      -1.435300       1.060300    
 C    4.565500     -0.6254000      0.3152000    
 C   -5.175900     -0.4405000     -0.6591000    
 C   -6.389600      -1.219000     -0.1772000    
 H   0.1329000     -0.7549000      -1.480200    
 H    1.479400       1.968800      -1.545400    
 H    1.622800      0.6744000      -2.742900    
 H   -1.253100      -1.145600      0.6411000    
 H   -1.749100      0.1379000       1.701300    
 H   -2.510300     -0.2139000      -1.259000    
 H   -2.983200       1.186300     -0.3129000    
 H    1.625000      -2.010100       1.399500    
 H    4.746700      0.8679000      -1.243800    
 H   -4.232100     -0.2870000       1.279100    
 H   -3.744400      -1.706100      0.3490000    
 H    4.086200      -2.103500       1.818300    
 H    5.633900     -0.6773000      0.5070000    
 H   -4.918700     -0.7701000      -1.672600    
 H   -5.429900      0.6241000     -0.7186000    
 H   -7.234000      -1.062900     -0.8558000    
 H   -6.177900      -2.292400     -0.1396000    
 H   -6.692700     -0.8931000      0.8230000    
 H  -0.9371000       3.182800       1.653300    


%chk=000052371-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052371

0 1
O -1.377469 2.909086 0.967024
N -0.285171 2.408301 0.099263
C 0.681342 0.450258 -0.920920
C 1.914187 1.327552 -1.428328
C 1.732787 -0.450215 -0.218632
C 2.818320 0.316902 -0.707608
C -0.368748 1.102554 -0.043309
C -1.445781 0.225853 0.564389
C -2.743144 0.208159 -0.295661
C 1.910735 -1.586394 0.583672
C 4.151623 -0.017105 -0.428212
C -3.834041 -0.699473 0.314103
C 3.260392 -1.930551 0.880813
C 4.350559 -1.167940 0.386403
C -5.128860 -0.738939 -0.529570
C -6.218993 -1.642857 0.085750
H 0.167765 -0.077546 -1.750522
H 1.911146 2.346552 -1.009724
H 2.019449 1.381687 -2.525827
H -1.062585 -0.806417 0.671598
H -1.698782 0.607009 1.571058
H -2.506648 -0.140758 -1.321829
H -3.122578 1.243441 -0.384510
H 1.081563 -2.189843 0.969315
H 5.003107 0.562670 -0.800997
H -4.075040 -0.343844 1.337503
H -3.439577 -1.731487 0.426393
H 3.467192 -2.808020 1.504727
H 5.370885 -1.476681 0.643108
H -4.886992 -1.093053 -1.552640
H -5.520557 0.292370 -0.641992
H -7.134351 -1.653330 -0.534176
H -5.862620 -2.686196 0.179880
H -6.499584 -1.292532 1.097038
H -1.165332 3.876289 1.013224


