%chk=000044249.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044249

0 1
 O    4.947400      0.8364000     -0.4421000    
 N   -4.954200      0.1792000     -0.3670000    
 N   -1.251000     -0.1208000     -0.2002000    
 N  -0.5109000      -2.297700      0.4559000    
 C   -5.346400     -0.1834000      0.9946000    
 C   -5.877200       1.244600     -0.7570000    
 C   -6.866300     -0.1907000      0.9215000    
 C   -7.215000      0.7449000     -0.2319000    
 C   -3.561200      0.5920000     -0.4526000    
 C   -2.642300     -0.5611000     -7.5199999E-02
 C  -0.3284000     -0.9872000      6.3600004E-02
 C    1.083700     -0.4991000     -7.1199998E-02
 C    5.926700      0.2373000      0.4052000    
 C    1.340000      0.8280000      0.1667000    
 C    2.054100      -1.402500     -0.4266000    
 C    3.666700      0.3933000     -0.3184000    
 C    2.653000       1.281700      4.1000001E-02
 C    3.367200     -0.9489000     -0.5522000    
 C    6.976600     -0.4524000     -0.4526000    
 C    6.537700       1.306400       1.298400    
 H   -5.014500      0.5614000       1.729400    
 H   -4.980600      -1.168700       1.299200    
 H   -5.900700       1.395100      -1.840900    
 H   -5.624000       2.198500     -0.2766000    
 H   -7.314700      0.1425000       1.862900    
 H   -7.242500      -1.198100      0.7078000    
 H   -7.755500      0.1907000      -1.008200    
 H   -7.852500       1.572400      9.5399998E-02
 H   -3.355500       1.459500      0.1888000    
 H   -3.333700      0.9014000      -1.480800    
 H   -2.817400     -0.8733000      0.9603000    
 H   -2.832300      -1.412700     -0.7407000    
 H    5.474100     -0.5162000       1.064300    
 H   0.5688000       1.534000      0.4583000    
 H    1.846000      -2.445500     -0.6400000    
 H    2.881300       2.327800      0.2269000    
 H    4.141000      -1.651400     -0.8477000    
 H   0.2594000      -2.900900      0.7228000    
 H   -1.437000      -2.697500      0.5591000    
 H    7.457400      0.2627000      -1.129300    
 H    6.521500      -1.222400      -1.083500    
 H    7.748700     -0.9218000      0.1648000    
 H    7.296600      0.8847000       1.964300    
 H    5.763000       1.782800       1.909000    
 H    6.998000       2.099800      0.6994000    


%chk=000044249-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044249

0 1
O 5.024104 1.033479 0.526969
N -5.029819 0.203574 -0.372713
N -1.286622 -0.145329 0.009785
N -0.551013 -2.375780 0.532679
C -5.669739 -0.166366 0.918604
C -5.911934 1.250222 -0.950136
C -7.198607 -0.120715 0.627059
C -7.330643 0.687470 -0.707577
C -3.607593 0.587939 -0.284961
C -2.688190 -0.611966 0.006707
C -0.333574 -1.015098 0.278135
C 1.085350 -0.547290 0.322293
C 6.249572 0.199200 0.369344
C 1.348117 0.840654 0.490767
C 2.189993 -1.425206 0.193066
C 3.760897 0.434742 0.428765
C 2.661633 1.327237 0.545233
C 3.520258 -0.950178 0.242896
C 6.504326 -0.092241 -1.120388
C 7.369681 1.017263 1.019793
H -5.407091 0.570342 1.722353
H -5.332330 -1.162142 1.257387
H -5.680491 1.406242 -2.018981
H -5.790331 2.233921 -0.425104
H -7.739768 0.365569 1.457794
H -7.614520 -1.135988 0.510020
H -7.611176 0.012730 -1.534553
H -8.088452 1.488144 -0.647411
H -3.428887 1.371354 0.495526
H -3.296454 1.020936 -1.253027
H -2.965275 -1.072182 0.985786
H -2.876248 -1.382450 -0.777036
H 6.105273 -0.745836 0.933520
H 0.489209 1.513988 0.568615
H 2.033417 -2.494394 0.004647
H 2.868965 2.392956 0.682247
H 4.343251 -1.661056 0.126291
H 0.188264 -2.971944 0.893580
H -1.486831 -2.764692 0.454492
H 6.665828 0.853905 -1.666237
H 5.653195 -0.616748 -1.587397
H 7.405889 -0.721278 -1.238112
H 8.327111 0.468397 0.964197
H 7.138377 1.218972 2.079416
H 7.487980 1.984445 0.500566


