%chk=000005511.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005511

0 1
 O    1.308100      -2.887700     -0.1395000    
 N   -2.477200     -0.1331000     -0.3328000    
 C   -3.024800      0.6844000      -1.424500    
 C   -2.622400      0.5448000      0.9630000    
 C   -4.506900      0.9871000      -1.197400    
 C   -4.091100      0.8431000       1.268100    
 C   -4.735100       1.658000      0.1521000    
 C   -1.073000     -0.4532000     -0.5882000    
 C  -0.5098000      -1.422500      0.4612000    
 C   -1.312200      -2.726600      0.5294000    
 C   0.9461000      -1.740100      0.1173000    
 C    1.955600     -0.6417000      7.5499997E-02
 C    1.778500      0.4481000      0.8972000    
 C    3.025500     -0.7612000     -0.7818000    
 C    2.722500       1.474300      0.8592000    
 C    3.969500      0.2650000     -0.8199000    
 C    3.817900       1.382800      5.0000002E-04
 C    4.828800       2.478700     -3.9500002E-02
 H   -2.929800      0.1469000      -2.375800    
 H   -2.468900       1.626000      -1.524900    
 H   -2.043900       1.477900      0.9847000    
 H   -2.273000     -7.7100001E-02   1.791500    
 H   -5.083500      5.4499999E-02  -1.244100    
 H   -4.879900       1.633900      -1.999500    
 H   -4.169700       1.388800       2.215200    
 H   -4.639300     -9.9299997E-02   1.395300    
 H   -5.808500       1.771000      0.3397000    
 H   -4.301900       2.665700      0.1380000    
 H  -0.4820000      0.4686000     -0.6412000    
 H  -0.9822000     -0.9278000      -1.575200    
 H  -0.5016000      -1.004300       1.471300    
 H   -1.363100      -3.216200     -0.4497000    
 H  -0.8517000      -3.433300       1.229200    
 H   -2.336000      -2.551400      0.8748000    
 H   0.9493000      0.5458000       1.588300    
 H    3.153400      -1.623000      -1.429500    
 H    2.596600       2.337700       1.507200    
 H    4.819300      0.1817000      -1.492200    
 H    5.268700       2.573600      -1.038200    
 H    4.374100       3.445200      0.2031000    
 H    5.629300       2.277700      0.6793000    


%chk=000005511-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005511

0 1
O 1.196569 -2.589213 -1.164514
N -2.603071 -0.062846 -0.302073
C -3.581692 0.272368 -1.369249
C -2.519462 1.013179 0.716466
C -4.987241 0.505350 -0.778359
C -3.891387 1.274624 1.370954
C -4.952754 1.612829 0.299859
C -1.278585 -0.446110 -0.840439
C -0.485921 -1.389220 0.130427
C -1.222176 -2.730416 0.310053
C 0.931276 -1.584525 -0.436443
C 1.994242 -0.555302 -0.160092
C 1.766095 0.620159 0.604164
C 3.293528 -0.766388 -0.700502
C 2.805535 1.549357 0.821420
C 4.326164 0.160317 -0.478877
C 4.102900 1.336687 0.289359
C 5.227360 2.323779 0.541011
H -3.607199 -0.566020 -2.089734
H -3.267901 1.190284 -1.935249
H -2.142703 1.967104 0.255925
H -1.790376 0.714476 1.493038
H -5.342282 -0.440530 -0.325484
H -5.687879 0.773006 -1.592653
H -3.797801 2.099602 2.103482
H -4.199776 0.366790 1.924510
H -5.949281 1.733298 0.765144
H -4.698573 2.582522 -0.176977
H -0.660768 0.453899 -1.086432
H -1.433981 -1.000108 -1.785602
H -0.411705 -0.884633 1.112941
H -1.162601 -3.326201 -0.617007
H -0.771636 -3.329647 1.121563
H -2.280481 -2.532122 0.551086
H 0.778965 0.821546 1.032779
H 3.458535 -1.672303 -1.293436
H 2.609776 2.452181 1.412221
H 5.321066 -0.022126 -0.903477
H 5.777956 2.552636 -0.389587
H 4.850207 3.272960 0.958268
H 5.962756 1.911555 1.258712


