%chk=000116466.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116466

0 1
 O    2.227700     -0.9988000      -1.504700    
 N    4.446500     -0.4581000      3.1199999E-02
 C   -1.559100      0.3312000     -0.1021000    
 C    3.439600      0.5832000     -0.1424000    
 C   -1.617600       1.721500      0.1780000    
 C   -2.771500     -0.4448000     -6.4199999E-02
 C   0.8692000      0.5887000     -0.4307000    
 C  -0.2819000     -0.2033000     -0.4053000    
 C    3.953900      -1.506300      0.9261000    
 C    5.690800      0.1109000      0.5513000    
 C    2.157000     -9.2000002E-03 -0.7468000    
 C   -3.995900      0.1992000      0.2526000    
 C  -0.4522000       2.506700      0.1492000    
 C   0.7839000       1.944300     -0.1536000    
 C   -2.842200       2.319700      0.4858000    
 C   -4.013200       1.569900      0.5227000    
 C   -2.833900      -1.836800     -0.3251000    
 C    4.992700      -2.598500       1.116600    
 C    6.254500       1.156400     -0.3959000    
 C   -5.196600     -0.5299000      0.2984000    
 C   -4.034900      -2.549900     -0.2765000    
 C   -5.216800      -1.896100      3.5200000E-02
 H    3.213300       1.065700      0.8160000    
 H    3.756000       1.345200     -0.8620000    
 H    3.676200      -1.099300       1.907300    
 H    3.062700      -1.997500      0.5238000    
 H    5.557300      0.5471000       1.549300    
 H    6.469600     -0.6545000      0.6267000    
 H  -0.1740000      -1.263500     -0.6218000    
 H  -0.4990000       3.573600      0.3608000    
 H    1.655100       2.592300     -0.1797000    
 H   -2.901400       3.384700      0.7027000    
 H   -4.945300       2.076300      0.7671000    
 H   -1.940600      -2.403300     -0.5749000    
 H    5.804800      -2.295600       1.784600    
 H    4.521600      -3.471900       1.582200    
 H    5.415800      -2.929900      0.1621000    
 H    7.284100       1.396200     -0.1070000    
 H    5.695400       2.096600     -0.3621000    
 H    6.281900      0.7954000      -1.429800    
 H   -6.135300     -3.5000000E-02  0.5415000    
 H   -4.040400      -3.616200     -0.4832000    
 H   -6.152300      -2.445600      7.4299999E-02


%chk=000116466-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116466

0 1
O 2.045367 -1.650311 -0.013609
N 4.588163 -0.444476 0.358503
C -1.696562 0.329136 0.105603
C 3.368066 0.350636 0.513772
C -1.730105 1.734362 0.439477
C -2.955809 -0.370646 -0.174023
C 0.771561 0.366433 0.333500
C -0.431189 -0.317570 0.064171
C 4.764410 -1.477479 1.416670
C 5.796449 0.394011 0.146696
C 2.057453 -0.414230 0.251899
C -4.196016 0.364084 -0.104257
C -0.505578 2.421153 0.710358
C 0.723078 1.760029 0.660710
C -2.994205 2.430172 0.497709
C -4.179735 1.769686 0.236238
C -3.012939 -1.756431 -0.514853
C 5.608900 -2.673960 0.941182
C 5.866798 1.017958 -1.260880
C -5.431547 -0.302341 -0.372958
C -4.235520 -2.391422 -0.775341
C -5.457016 -1.661916 -0.704435
H 3.278816 0.821695 1.532187
H 3.396509 1.195680 -0.201041
H 5.213205 -1.031196 2.341313
H 3.763883 -1.853529 1.685653
H 5.881317 1.198992 0.923096
H 6.676818 -0.259312 0.281166
H -0.340376 -1.380194 -0.181248
H -0.547413 3.487286 0.962761
H 1.641900 2.313779 0.876324
H -2.993655 3.495775 0.754860
H -5.136069 2.304152 0.282592
H -2.091340 -2.342493 -0.577339
H 6.634561 -2.377775 0.653787
H 5.692764 -3.428666 1.745554
H 5.124880 -3.139083 0.066003
H 6.812706 1.577429 -1.386113
H 5.038528 1.725399 -1.451110
H 5.817949 0.224922 -2.026673
H -6.364229 0.271480 -0.315405
H -4.251218 -3.455314 -1.035556
H -6.408059 -2.165105 -0.909243


