%chk=000057978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057978

0 1
 O   0.9394000     -0.1550000     -0.5488000    
 O  -0.2545000       1.474100      0.5440000    
 O   0.1603000      -2.245200       1.177200    
 N    3.904000      0.6537000       1.171600    
 C    3.253700     -2.9100001E-02  -1.249900    
 C    2.087200      0.6855000     -0.5438000    
 C    3.655500      -1.258600     -0.4163000    
 C    4.447500      0.9360000      -1.253600    
 C    2.495900       1.025900      0.9006000    
 C    4.046100     -0.8085000       1.000400    
 C    4.780000       1.336000      0.1935000    
 C   -1.345200     -0.6717000      3.8300000E-02
 C  -0.1878000      0.3605000      3.4499999E-02
 C   -1.267600      -1.557300      -1.249300    
 C   -1.090900      -1.570000       1.280100    
 C   -2.694100      7.9099998E-02  4.6700001E-02
 C   -2.375600      -2.596400      -1.403100    
 C   -2.969500      0.9228000     -0.9964000    
 C   -3.546100     -0.1366000       1.096900    
 C   -4.188100       1.601500     -0.9887000    
 C   -4.764700      0.5420000       1.104500    
 C   -5.085600       1.411100      6.1700001E-02
 H    2.977300     -0.3356000      -2.264100    
 H    1.848500       1.603000      -1.098600    
 H    4.501300      -1.771400     -0.8900000    
 H    2.829700      -1.977700     -0.3692000    
 H    4.211400       1.829000      -1.844300    
 H    5.317300      0.4579000      -1.719600    
 H    2.380800       2.104000       1.070600    
 H    1.863900      0.5359000       1.650500    
 H    3.428700      -1.330700       1.742000    
 H    5.079300      -1.107600       1.216900    
 H    5.829800       1.104300      0.4127000    
 H    4.689200       2.423100      0.3116000    
 H  -0.3138000      -2.099600      -1.286100    
 H   -1.261900     -0.9262000      -2.147600    
 H   -1.857300      -2.342000       1.397500    
 H   -1.063200     -0.9812000       2.205100    
 H   -2.371300      -3.317200     -0.5810000    
 H   -3.365800      -2.135700      -1.457900    
 H   -2.225900      -3.158900      -2.331000    
 H   -2.278800       1.091300      -1.815700    
 H   -3.343200     -0.7981000       1.929100    
 H   0.8662000      -1.583400       1.262900    
 H   -4.437000       2.280300      -1.799200    
 H   -5.464100      0.3947000       1.922400    
 H   -6.034100       1.940200      6.8200000E-02


%chk=000057978-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057978

0 1
O 1.071875 -0.623229 -0.532612
O -0.062867 0.567289 -2.172312
O 0.100922 -3.235837 -0.891960
N 3.247170 1.876287 0.836036
C 3.496802 -0.509693 -0.177935
C 2.291692 0.216546 -0.807750
C 3.323724 -0.602941 1.363443
C 4.759241 0.342107 -0.500425
C 2.161404 1.635788 -0.153499
C 3.162340 0.856653 1.928321
C 4.572624 1.763197 0.153688
C -1.302979 -1.153920 -0.862139
C -0.074116 -0.311663 -1.280876
C -2.059868 -1.548432 -2.182864
C -0.841819 -2.435743 -0.107032
C -2.198560 -0.246327 0.023701
C -3.421066 -2.238089 -1.964069
C -2.589044 1.037218 -0.446356
C -2.690359 -0.677412 1.283106
C -3.441128 1.861552 0.318692
C -3.546363 0.147805 2.049053
C -3.925783 1.421300 1.572419
H 3.596372 -1.519095 -0.616504
H 2.389800 0.287261 -1.906392
H 4.210673 -1.102217 1.796276
H 2.443326 -1.223081 1.607204
H 4.898134 0.423287 -1.595731
H 5.651742 -0.170393 -0.096226
H 2.199465 2.421959 -0.926604
H 1.188516 1.719501 0.363633
H 2.185773 0.982295 2.429079
H 3.948462 1.089416 2.668757
H 5.357532 1.960945 0.905192
H 4.632844 2.561879 -0.607495
H -1.391263 -2.220023 -2.754792
H -2.196081 -0.632547 -2.785068
H -1.706276 -3.099064 0.054940
H -0.403219 -2.167915 0.873966
H -3.318666 -3.204206 -1.437215
H -4.113570 -1.601165 -1.385506
H -3.891668 -2.449104 -2.941504
H -2.215062 1.394103 -1.412370
H -2.422643 -1.660979 1.681102
H 0.958497 -2.735660 -0.898102
H -3.725531 2.848324 -0.063922
H -3.915929 -0.208460 3.017447
H -4.588169 2.060683 2.166505


