%chk=000043005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043005

1 1
 O   0.6540000     -0.4326000      -1.278500    
 N    3.117500      8.2300000E-02 -1.1800000E-02
 N  -0.4434000     -0.2462000      0.7909000    
 C    4.373200     -3.8300000E-02  0.8396000    
 C    2.860600       1.547700     -0.3324000    
 C    3.306100     -0.6950000      -1.306500    
 C    1.930000     -0.4854000      0.7525000    
 C    4.623200      -1.496800       1.155000    
 C    2.674200       2.314900      0.9584000    
 C    4.487500     -0.1262000      -2.061500    
 C   0.6540000     -0.3889000     -5.2800000E-02
 C   -1.804200     -0.1242000      0.4225000    
 C   -2.338500       1.136000      0.1980000    
 C   -2.580400      -1.266100      0.2917000    
 C   -3.679800       1.256900     -0.1653000    
 C   -3.921700      -1.145100     -7.1699999E-02
 C   -4.471300      0.1165000     -0.3002000    
 C   -1.515800       2.376400      0.3335000    
 C   -2.020300      -2.631600      0.5281000    
 C   -5.905000      0.2458000     -0.6895000    
 H    5.218700      0.4565000      0.3557000    
 H    4.197400      0.4612000       1.796500    
 H    3.736900       1.966700     -0.8331000    
 H    1.995400       1.642400     -0.9943000    
 H    3.385400      -1.766600      -1.108700    
 H    2.488000     -0.5371000      -1.999600    
 H    2.084700      -1.561000      0.8864000    
 H    1.864300     -2.8800000E-02   1.743100    
 H    5.532300      -1.554300       1.767900    
 H    3.846700      -1.966200       1.762700    
 H    4.832200      -2.116600      0.2808000    
 H    2.467900       3.361200      0.6975000    
 H    1.815000       1.997800       1.552600    
 H    3.564700       2.354600       1.589400    
 H    4.611600     -0.7146000      -2.980500    
 H    4.352400      0.9015000      -2.405900    
 H    5.442700     -0.2178000      -1.540900    
 H  -0.2959000     -0.3991000       1.786200    
 H   -4.112400       2.237900     -0.3475000    
 H   -4.542400      -2.031300     -0.1813000    
 H  -0.7323000       2.399700     -0.4309000    
 H   -2.119900       3.282400      0.2138000    
 H   -1.054500       2.426700       1.325500    
 H   -1.580900      -2.700000       1.528900    
 H   -2.791900      -3.406500      0.4619000    
 H   -1.255300      -2.864800     -0.2198000    
 H   -6.330200       1.187300     -0.3255000    
 H   -6.002500      0.2150000      -1.779200    
 H   -6.505900     -0.5631000     -0.2603000    


%chk=000043005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043005

1 1
O 0.551403 0.479040 -1.147614
N 3.204973 0.129102 -0.007123
N -0.479180 -0.347015 0.787298
C 4.437691 -0.152952 0.897400
C 3.105956 1.674193 -0.221424
C 3.357195 -0.570594 -1.395753
C 1.957008 -0.428488 0.686085
C 4.738005 -1.630275 1.177466
C 2.666619 2.474602 1.010213
C 4.607235 -0.179101 -2.188716
C 0.611021 -0.043397 0.006425
C -1.868122 -0.181904 0.394782
C -2.389938 1.108821 0.107206
C -2.687882 -1.346109 0.371973
C -3.759957 1.202140 -0.236066
C -4.050735 -1.196160 0.033750
C -4.605945 0.068212 -0.286119
C -1.538723 2.360713 0.180035
C -2.117949 -2.716447 0.696304
C -6.063810 0.200700 -0.683268
H 5.291980 0.326991 0.393666
H 4.254391 0.390291 1.839367
H 4.110737 1.987112 -0.548311
H 2.392370 1.813135 -1.047135
H 3.349317 -1.653861 -1.188020
H 2.434228 -0.311283 -1.938593
H 2.059407 -1.527488 0.691237
H 1.976232 -0.075887 1.731199
H 5.645870 -1.671520 1.805132
H 3.939786 -2.138751 1.743436
H 4.954725 -2.208633 0.263879
H 2.685026 3.542626 0.729422
H 1.631865 2.249649 1.317578
H 3.339290 2.364016 1.877827
H 4.574336 -0.733717 -3.143412
H 4.635102 0.891494 -2.448935
H 5.552408 -0.455835 -1.691617
H -0.316773 -0.844660 1.669433
H -4.177966 2.191134 -0.458747
H -4.691804 -2.085376 0.011620
H -0.867954 2.428941 -0.696300
H -2.170939 3.263296 0.201614
H -0.905332 2.370508 1.087954
H -1.809967 -2.805309 1.758429
H -2.869310 -3.502429 0.518102
H -1.234880 -2.950671 0.072140
H -6.468989 1.192102 -0.417538
H -6.185668 0.079560 -1.776943
H -6.690252 -0.567316 -0.197935


