%chk=000113007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113007

0 1
 O    4.612500      0.3538000      0.2358000    
 N    7.169800      -2.211100     -0.2559000    
 C   -1.699100      0.6587000     -0.1932000    
 C  -0.3553000      9.8700002E-02  0.2828000    
 C   -2.906300     -0.1206000      0.3347000    
 C   0.8936000      0.7992000     -0.2628000    
 C   -4.217500      0.4798000     -0.1798000    
 C    2.203900      0.2133000      0.2728000    
 C   -5.464300     -0.2394000      0.3446000    
 C    3.426300      0.9178000     -0.3051000    
 C   -6.771000      0.3149000     -0.2283000    
 C   -7.958900     -0.4149000      0.3276000    
 C    5.775200      0.9872000     -0.2813000    
 C    7.017200      0.3500000      0.3260000    
 C   -8.827800      -1.106000     -0.4183000    
 C    7.101600      -1.081400      9.9999997E-05
 H   -1.776700       1.707900      0.1177000    
 H   -1.716800      0.6518000      -1.290100    
 H  -0.3300000      0.1386000       1.379300    
 H  -0.3027000     -0.9638000      1.2200000E-02
 H   -2.900600     -0.1072000       1.431000    
 H   -2.834500      -1.169100      2.2299999E-02
 H   0.8877000      0.7342000      -1.357700    
 H   0.8440000       1.864900     -8.1000002E-03
 H   -4.271000       1.537600      0.1060000    
 H   -4.220200      0.4477000      -1.276500    
 H    2.260400     -0.8575000      4.0899999E-02
 H    2.227500      0.2842000       1.367400    
 H   -5.387000      -1.307300      0.1018000    
 H   -5.481500     -0.1677000       1.439800    
 H    3.434700      0.8088000      -1.396100    
 H    3.387500       1.986100     -6.1000001E-02
 H   -6.863900       1.377500      2.5400000E-02
 H   -6.749700      0.2489000      -1.322800    
 H   -8.119900     -0.3629000       1.401300    
 H    5.754400       2.053800     -2.8899999E-02
 H    5.792900      0.8853000      -1.373500    
 H    6.987800      0.4596000       1.416400    
 H    7.911600      0.8681000     -3.5900000E-02
 H   -9.670800      -1.607800      4.4000000E-02
 H   -8.715600      -1.184700      -1.493900    


%chk=000113007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113007

0 1
O 4.651134 0.428792 0.298449
N 7.242775 -2.212411 -0.648887
C -1.675380 0.626379 -0.282288
C -0.336444 0.102380 0.283323
C -2.909942 -0.094361 0.304802
C 0.897208 0.825776 -0.302239
C -4.248962 0.433243 -0.257739
C 2.230236 0.295095 0.273113
C -5.483231 -0.287351 0.329327
C 3.446566 1.021595 -0.306040
C -6.823179 0.252704 -0.239325
C -8.034842 -0.412612 0.378636
C 5.885750 1.046434 -0.172373
C 7.050879 0.225134 0.413990
C -8.998724 -1.083722 -0.301399
C 7.151221 -1.124697 -0.167939
H -1.757205 1.715376 -0.081402
H -1.676585 0.513191 -1.386735
H -0.335795 0.213920 1.387668
H -0.252974 -0.985589 0.080852
H -2.907626 0.016201 1.409474
H -2.830483 -1.182710 0.101705
H 0.896105 0.711283 -1.406469
H 0.810506 1.914325 -0.100584
H -4.328859 1.521983 -0.054043
H -4.251601 0.323190 -1.362409
H 2.332009 -0.786560 0.061481
H 2.239631 0.408143 1.374458
H -5.415132 -1.374463 0.124246
H -5.483454 -0.176653 1.433771
H 3.488151 0.903770 -1.412365
H 3.404180 2.110706 -0.075166
H -6.865538 1.346615 -0.047971
H -6.841718 0.120404 -1.338854
H -8.111932 -0.337339 1.475848
H 5.963019 2.096385 0.188222
H 5.930054 1.053232 -1.283101
H 6.904169 0.136196 1.506230
H 8.005665 0.758162 0.244871
H -9.849492 -1.547430 0.210924
H -8.962659 -1.187717 -1.393361


