%chk=000100409.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100409

0 1
 O   0.5352000     -0.6818000       1.511100    
 N    2.572000      0.8864000      0.5844000    
 N    5.107300      0.3859000     -0.7118000    
 N   -3.088300     -7.2099999E-02 -0.5165000    
 C    2.692200     -9.4400004E-02 -0.5014000    
 C    3.570200       1.951000      0.4257000    
 C    4.108300     -0.6782000     -0.5549000    
 C    4.986200       1.367100      0.3735000    
 C    1.221800       1.443700      0.6332000    
 C   0.2194000      0.3220000      0.8707000    
 C   -1.141900      0.4606000      0.3190000    
 C    6.457300     -0.1722000     -0.7587000    
 C   -1.832600       1.661200      0.1132000    
 C   -1.905100     -0.5912000     -6.3500002E-02
 C   -3.072000       1.301200     -0.4203000    
 C   -1.661800      -2.015500     -5.5599999E-02
 C   -1.553000       3.027000      0.3173000    
 C   -4.049600       2.242600     -0.7612000    
 C   -2.521500       3.979800     -1.8900000E-02
 C   -3.749800       3.591400     -0.5498000    
 C   -2.003700      -2.773800       1.062600    
 C   -1.084600      -2.627400      -1.166800    
 C   -1.767600      -4.148600       1.069800    
 C  -0.8485000      -4.002200      -1.159800    
 C   -1.189900      -4.762700     -4.1400000E-02
 H    2.453300      0.3686000      -1.469100    
 H    2.010800     -0.9421000     -0.3801000    
 H    3.513500       2.641700       1.275800    
 H    3.378500       2.536300     -0.4840000    
 H    4.299900      -1.265700      0.3534000    
 H    4.165700      -1.366400      -1.407100    
 H    5.692400       2.190100      0.2095000    
 H    5.233700      0.9122000       1.342400    
 H    1.134900       2.141600       1.473000    
 H   0.9946000       1.962600     -0.3047000    
 H    6.555800     -0.8698000      -1.597800    
 H    6.719200     -0.7032000      0.1636000    
 H    7.195600      0.6209000     -0.9213000    
 H   -3.864900     -0.6136000     -0.8712000    
 H  -0.6174000       3.371200      0.7435000    
 H   -5.006400       1.941100      -1.174300    
 H   -2.313300       5.034600      0.1401000    
 H   -4.488000       4.348200     -0.8031000    
 H   -2.454000      -2.309800       1.936900    
 H  -0.8113000      -2.048200      -2.045600    
 H   -2.033100      -4.740700       1.940600    
 H  -0.3982000      -4.480300      -2.024700    
 H   -1.005800      -5.833000     -3.5700001E-02


%chk=000100409-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100409

0 1
O 0.859782 -1.206157 0.418864
N 2.776673 0.847115 0.278065
N 5.615544 0.875742 -0.306580
N -3.270651 -0.146221 -0.293463
C 3.332953 0.052719 -0.845805
C 3.600422 2.054698 0.525795
C 4.790660 -0.332417 -0.555012
C 5.055885 1.657545 0.820595
C 1.356087 1.171029 0.126850
C 0.402092 -0.039362 0.214409
C -1.043185 0.226325 0.045439
C 7.040352 0.550920 -0.109682
C -1.721689 1.520678 -0.120341
C -2.047943 -0.781693 -0.067146
C -3.118527 1.242767 -0.321526
C -2.057988 -2.262357 -0.047308
C -1.326518 2.889085 -0.119848
C -4.101162 2.237744 -0.499648
C -2.297600 3.894202 -0.300824
C -3.672889 3.579239 -0.487435
C -1.327295 -3.024600 0.903172
C -2.893448 -2.951151 -0.976349
C -1.441360 -4.429963 0.929595
C -2.997091 -4.357963 -0.953010
C -2.273548 -5.104138 0.005422
H 3.295471 0.633710 -1.803296
H 2.729975 -0.862489 -0.956636
H 3.187467 2.596982 1.398140
H 3.593378 2.750324 -0.352990
H 4.806615 -1.027180 0.322703
H 5.207601 -0.870873 -1.426928
H 5.665749 2.570934 0.957743
H 5.080637 1.075483 1.777893
H 1.072415 1.864463 0.944386
H 1.132668 1.709823 -0.834369
H 7.426304 0.019160 -0.998278
H 7.228939 -0.094099 0.787001
H 7.622756 1.482487 0.011219
H -4.157940 -0.645175 -0.346668
H -0.284989 3.185405 0.017278
H -5.156191 1.980729 -0.645240
H -1.985774 4.944449 -0.297992
H -4.401723 4.385305 -0.623628
H -0.668571 -2.513315 1.606548
H -3.425772 -2.386876 -1.752430
H -0.872704 -5.000546 1.671772
H -3.629890 -4.869456 -1.686722
H -2.350476 -6.196925 0.026268


