%chk=000131987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131987

0 1
 O   0.4335000     -0.5145000      -1.265000    
 O  -0.3693000      0.4773000       1.788200    
 N   -4.737100     -0.4931000     -0.2394000    
 C    1.038200      -1.687600      0.6962000    
 C    1.573400      -2.853100     -0.1615000    
 C  -0.3268000      -2.407200      0.6850000    
 C   0.4530000      -3.718200      0.4522000    
 C    1.048300     -0.3364000      1.1000000E-02
 C    2.497900      0.1167000     -0.1255000    
 C   0.1980000      0.7237000      0.7223000    
 C   0.1012000       2.102300      7.0400000E-02
 C    3.023700      0.9576000      0.8319000    
 C    3.234700     -0.3292000      -1.201900    
 C   -1.227300       2.804100      0.3423000    
 C    4.349700       1.372200      0.7071000    
 C    4.560600      8.5400000E-02  -1.326600    
 C    5.118200      0.9361000     -0.3721000    
 C   -2.363600       2.031300     -0.1808000    
 C   -3.284600       1.390700     -0.6097000    
 C   -4.399700      0.6016000      -1.140500    
 C   -5.851500      -1.277600     -0.7751000    
 C   -5.070500      1.7999999E-02   1.091600    
 H    1.482800      -1.671000       1.702800    
 H    2.590500      -3.183400      6.8099998E-02
 H    1.470700      -2.763700      -1.248400    
 H   -1.006400      -2.160600     -0.1384000    
 H  -0.8908000      -2.364700       1.621100    
 H  -1.6899999E-02  -4.438900     -0.2216000    
 H   0.7452000      -4.228600       1.377100    
 H   0.7573000      0.1654000      -1.878900    
 H   0.9151000       2.724400      0.4556000    
 H   0.2378000       2.012400      -1.011600    
 H    2.464900       1.287600       1.701200    
 H    2.825800     -0.9855000      -1.962700    
 H   -1.212400       3.796400     -0.1225000    
 H   -1.356600       2.957800       1.420100    
 H    4.786500       2.028300       1.454400    
 H    5.158900     -0.2531000      -2.167500    
 H    6.151100       1.257600     -0.4684000    
 H   -4.104800      0.1977000      -2.116900    
 H   -5.263200       1.257300      -1.312000    
 H   -5.594600      -1.689100      -1.757500    
 H   -6.765700     -0.6819000     -0.8783000    
 H   -6.067800      -2.132700     -0.1249000    
 H   -5.394900     -0.8036000       1.741800    
 H   -5.878300      0.7588000       1.062400    
 H   -4.204200      0.4589000       1.595500    


%chk=000131987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131987

0 1
O 1.404727 -0.038180 -2.064370
O -0.162869 1.430028 0.903025
N -4.302560 -0.732236 0.525044
C 0.461204 -1.265901 -0.197511
C 1.135085 -2.636589 -0.539117
C -0.810854 -1.720326 -1.000210
C -0.295109 -3.196421 -0.866314
C 1.190839 0.047512 -0.605647
C 2.547012 0.164871 0.128697
C 0.218939 1.224798 -0.279864
C -0.284671 2.075744 -1.443575
C 2.651698 0.661225 1.454928
C 3.724267 -0.292195 -0.522501
C -1.502840 2.954845 -1.061233
C 3.906763 0.718654 2.100134
C 4.977785 -0.233124 0.126647
C 5.076553 0.276793 1.440365
C -2.699797 2.137326 -0.790045
C -3.650794 1.388071 -0.554275
C -4.757814 0.470783 -0.230342
C -5.407265 -1.701015 0.679818
C -3.672510 -0.386421 1.818885
H 0.237800 -1.185524 0.881636
H 1.717513 -3.126812 0.257852
H 1.750340 -2.556164 -1.451224
H -0.758433 -1.374971 -2.047046
H -1.798293 -1.474081 -0.575638
H -0.386498 -3.843365 -1.753983
H -0.744768 -3.711896 0.001045
H 2.052302 0.662623 -2.333970
H 0.555297 2.719719 -1.784178
H -0.517631 1.408843 -2.292407
H 1.751571 0.999218 1.976530
H 3.654348 -0.716813 -1.529667
H -1.706579 3.664910 -1.885903
H -1.254887 3.551894 -0.163302
H 3.968815 1.108960 3.122352
H 5.873732 -0.592630 -0.392368
H 6.048319 0.322969 1.944591
H -5.232879 0.117944 -1.166841
H -5.545310 1.037434 0.335819
H -5.792265 -1.993488 -0.313939
H -6.265304 -1.306342 1.283257
H -5.030582 -2.609934 1.180807
H -3.296945 -1.307937 2.298168
H -4.379416 0.113741 2.529160
H -2.818035 0.289361 1.647308


