%chk=000127340.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127340

0 1
 O  -0.9916000      0.2679000       2.008900    
 N    3.878500     -0.5056000      0.1784000    
 C   -1.109300      0.2191000      0.5741000    
 C   0.2670000      0.7164000      3.4600001E-02
 C    1.458500     -0.1837000      0.4109000    
 C    2.762700      0.3667000     -0.1679000    
 C   -2.295500       1.124500      0.2033000    
 C   -1.380600      -1.220900      0.1147000    
 C    5.129100      1.2700000E-02 -0.3580000    
 C    5.409700       1.435000      0.1523000    
 C   -3.530300      0.8255000      0.7222000    
 C   -1.583100      -1.452500      -1.223600    
 C   -2.065500       2.190300     -0.6301000    
 C   -1.409300      -2.214300       1.062500    
 C    6.263700     -0.9305000      3.9500002E-02
 C    6.707500       2.029600     -0.3798000    
 C   -4.606200       1.646700      0.3855000    
 C   -1.829800      -2.760400      -1.640800    
 C   -3.141600       3.011500     -0.9667000    
 C   -1.655900      -3.522300      0.6453000    
 C   -4.411900       2.739800     -0.4588000    
 C   -1.866200      -3.795400     -0.7063000    
 H   0.4765000       1.719000      0.4324000    
 H   0.2508000      0.7887000      -1.060700    
 H    1.539300     -0.2572000       1.502300    
 H    1.303600      -1.198300      2.6600000E-02
 H    2.873600       1.365300      0.2623000    
 H    2.673200      0.4630000      -1.256600    
 H    5.073700      2.7100001E-02  -1.454400    
 H    3.707600      -1.444100     -0.1819000    
 H    4.632300       2.132300     -0.1742000    
 H    5.426800       1.457600       1.249100    
 H  -0.9738000       1.201500       2.281600    
 H   -3.695000     -1.7600000E-02   1.385500    
 H   -1.554000     -0.6590000      -1.963400    
 H   -1.103400       2.448700      -1.052900    
 H   -1.247500      -2.040700       2.120500    
 H    7.200700     -0.6651000     -0.4601000    
 H    6.436400     -0.9209000       1.121700    
 H    6.035800      -1.962100     -0.2537000    
 H    6.779800       3.085000     -9.6400000E-02
 H    6.750900       1.969700      -1.471900    
 H    7.583800       1.522500      3.4100000E-02
 H   -5.595200       1.435900      0.7820000    
 H   -1.992500      -2.973300      -2.693300    
 H   -2.991200       3.862900      -1.624200    
 H   -1.683600      -4.328700       1.372400    
 H   -5.249600       3.379400     -0.7206000    
 H   -2.057700      -4.813800      -1.031200    


%chk=000127340-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127340

0 1
O -1.049786 0.250366 2.016596
N 3.899858 -0.271298 0.285022
C -1.149473 0.258926 0.530510
C 0.200461 0.764473 -0.061179
C 1.427739 -0.051463 0.391764
C 2.742695 0.537790 -0.154746
C -2.349628 1.150459 0.137470
C -1.401049 -1.203880 0.118149
C 5.219971 0.096472 -0.292175
C 5.746263 1.405473 0.355690
C -3.591362 0.917669 0.788617
C -1.755370 -1.499918 -1.222334
C -2.274749 2.184355 -0.828180
C -1.250844 -2.265859 1.041497
C 6.193329 -1.080749 -0.076601
C 7.019973 1.966523 -0.313200
C -4.724995 1.698394 0.485095
C -1.950535 -2.835579 -1.635684
C -3.412113 2.968807 -1.135237
C -1.452579 -3.603467 0.628941
C -4.639996 2.730322 -0.480906
C -1.799644 -3.894911 -0.709797
H 0.337032 1.826777 0.232338
H 0.138756 0.740645 -1.167294
H 1.473700 -0.084370 1.495461
H 1.321870 -1.099208 0.045241
H 2.861461 1.572298 0.223838
H 2.678923 0.614408 -1.273156
H 5.133960 0.281188 -1.396954
H 3.708357 -1.274502 0.149072
H 4.950294 2.173790 0.305509
H 5.924377 1.208304 1.430791
H -1.016565 1.193511 2.318927
H -3.652282 0.116099 1.532642
H -1.897679 -0.683139 -1.940554
H -1.334228 2.390929 -1.348379
H -0.984211 -2.031218 2.075227
H 7.187436 -0.863515 -0.502913
H 6.309283 -1.282201 1.004498
H 5.816943 -2.002353 -0.561798
H 7.301211 2.939858 0.128856
H 6.863563 2.123045 -1.397949
H 7.882774 1.286742 -0.191941
H -5.674552 1.503465 0.996396
H -2.228316 -3.049280 -2.674191
H -3.336076 3.765064 -1.884570
H -1.336956 -4.417259 1.354197
H -5.520131 3.337951 -0.719645
H -1.955910 -4.932036 -1.027762


