%chk=000003930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003930

0 1
 O   -4.945800      -1.346800       1.277100    
 N   -5.696800      0.6691000      0.4649000    
 C  -0.3204000      -2.231500     -0.9987000    
 C   0.9044000      -1.957300      -1.874700    
 C   -1.340600      -1.096600      -1.114500    
 C    1.980800      -3.045400      -1.781500    
 C   -2.577100      -1.298000     -0.2356000    
 C    2.552100      -3.295800     -0.3814000    
 C   -3.581700     -0.1511000     -0.3339000    
 C   6.8899997E-02   2.896100      0.5702000    
 C    1.135300       3.149300     -0.5004000    
 C    3.248800      -2.096600      0.1921000    
 C   0.6506000       2.371000       1.887600    
 C   0.5539000       3.662100      -1.820300    
 C    2.876900      -1.495700       1.332600    
 C    3.562700     -0.2880000       1.901000    
 C   -4.791300     -0.3666000      0.5546000    
 C    1.407100       1.082600       1.725800    
 C    2.707500      0.9450000       2.030500    
 C    1.604500       3.894300      -2.895300    
 H  -0.7838000      -3.179600      -1.295500    
 H  -2.6600000E-02  -2.326600      5.1800001E-02
 H    1.339800     -0.9869000      -1.606600    
 H   0.5867000      -1.874600      -2.921600    
 H   -1.656800     -0.9990000      -2.160500    
 H  -0.8593000     -0.1497000     -0.8407000    
 H    2.799100      -2.781900      -2.464100    
 H    1.561100      -3.987700      -2.155600    
 H   -3.068500      -2.238600     -0.5149000    
 H   -2.259900      -1.413100      0.8087000    
 H    1.767300      -3.660800      0.2905000    
 H    3.287800      -4.107000     -0.4500000    
 H   -3.927900     -4.5699999E-02  -1.368700    
 H   -3.102900      0.7906000     -4.0300000E-02
 H  -0.4738000       3.827800      0.7710000    
 H  -0.6677000       2.179500      0.1863000    
 H    1.685800       2.224000     -0.7077000    
 H    1.864400       3.875400     -0.1203000    
 H    4.093100      -1.704700     -0.3696000    
 H  -0.1705000       2.202000       2.594500    
 H    1.289300       3.144900       2.330900    
 H  -0.1826000       2.941800      -2.196500    
 H   1.7100001E-02   4.601000      -1.639900    
 H    2.041000      -1.901800       1.897900    
 H    3.940700     -0.5480000       2.897200    
 H    4.438900     -2.6900001E-02   1.294600    
 H   0.8381000      0.2413000       1.341000    
 H    3.235300       1.815200       2.417700    
 H    2.134500       2.965700      -3.129800    
 H    2.339600       4.636300      -2.568200    
 H    1.134900       4.260500      -3.813500    
 H   -6.554600      0.6606000       1.006600    
 H   -5.546000       1.471000     -0.1388000    


%chk=000003930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003930

0 1
O -5.357678 -1.077915 0.137312
N -5.293065 1.218233 0.442378
C -0.225460 -2.175080 -1.012138
C 1.068063 -2.115308 -1.854849
C -1.196165 -1.013912 -1.327755
C 2.026008 -3.313330 -1.646099
C -2.464466 -1.027560 -0.448219
C 2.575976 -3.460381 -0.197227
C -3.418253 0.146915 -0.764002
C -0.042450 2.680430 0.811150
C 0.815154 3.078694 -0.410366
C 3.317800 -2.228523 0.279604
C 0.792274 2.268159 2.054784
C -0.029817 3.461584 -1.646935
C 3.073351 -1.557631 1.435390
C 3.820554 -0.324580 1.898755
C -4.757529 0.025409 -0.025030
C 1.635755 1.029902 1.820727
C 2.955327 0.911017 2.119722
C 0.832734 3.858085 -2.864905
H -0.740709 -3.142640 -1.187831
H 0.029939 -2.147399 0.066568
H 1.606041 -1.174204 -1.619157
H 0.794567 -2.061340 -2.929044
H -1.489557 -1.062602 -2.397816
H -0.659574 -0.049459 -1.196865
H 2.885199 -3.209269 -2.340500
H 1.508227 -4.253607 -1.925524
H -3.021635 -1.972539 -0.588848
H -2.176816 -0.990946 0.621908
H 1.753210 -3.695845 0.504506
H 3.260520 -4.334794 -0.181461
H -3.642112 0.144206 -1.850703
H -2.929880 1.116501 -0.540866
H -0.707509 3.525461 1.084950
H -0.706710 1.835304 0.528844
H 1.492863 2.241024 -0.671214
H 1.470562 3.931494 -0.134591
H 4.112487 -1.857306 -0.389778
H 0.091132 2.080552 2.896110
H 1.441299 3.111191 2.365672
H -0.682505 2.605443 -1.919074
H -0.708132 4.299305 -1.382760
H 2.277175 -1.920693 2.104975
H 4.347838 -0.546418 2.853083
H 4.620979 -0.079506 1.169402
H 1.112344 0.170182 1.372360
H 3.476797 1.776496 2.560374
H 1.496016 3.025310 -3.165557
H 1.474697 4.727579 -2.628073
H 0.208423 4.125826 -3.737283
H -6.199014 1.195510 0.910788
H -4.810873 2.108074 0.331107


