%chk=000018106.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018106

0 1
 O   7.3000002E-03  -2.864700      -1.151300    
 N   -3.221200      0.8862000     -0.3744000    
 N    1.872200      -2.675900      0.1570000    
 C   0.1109000     -0.9591000      0.3901000    
 C   -1.284100     -0.6121000     -0.2314000    
 C   -1.926900      0.6867000      0.2727000    
 C    1.100600      0.1891000      0.1265000    
 C  -8.9100003E-02  -1.304900       1.886000    
 C   0.6369000      -2.253000     -0.2890000    
 C    1.351400      0.5459000      -1.174200    
 C    1.686800      0.8027000       1.204500    
 C   -3.832600       2.136600      7.6499999E-02
 C   -4.110400     -0.2432000     -0.1022000    
 C    2.248800       1.586700      -1.413000    
 C    2.584200       1.843400      0.9656000    
 C    2.865200       2.235500     -0.3432000    
 H   -1.928400      -1.471900     -1.1500000E-02
 H   -1.215000     -0.5691000      -1.327200    
 H   -2.041600      0.6633000       1.362400    
 H   -1.275700       1.534100      3.0800000E-02
 H  -0.7893000      -2.142700       1.995100    
 H   0.8392000      -1.619300       2.377000    
 H  -0.4984000     -0.4684000       2.461700    
 H   0.8889000      4.6700001E-02  -2.018900    
 H    1.502200      0.5379000       2.237700    
 H   -3.180100       2.987900     -0.1483000    
 H   -4.036600       2.133000       1.153500    
 H   -4.774500       2.318500     -0.4529000    
 H   -3.838700      -1.128600     -0.6851000    
 H   -5.133500     -7.7999998E-03 -0.4213000    
 H   -4.150700     -0.5021000      0.9622000    
 H    2.406400      -2.172100      0.8571000    
 H    2.300800      -3.514000     -0.2217000    
 H    2.469400       1.890600      -2.432200    
 H    3.064500       2.349300       1.798200    
 H    3.564300       3.045500     -0.5292000    


%chk=000018106-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018106

0 1
O -0.143332 -3.390212 -0.162635
N -3.173548 0.869574 -0.363252
N 1.969130 -2.468884 -0.358096
C 0.114814 -1.033015 0.556327
C -1.292413 -0.767307 -0.079352
C -2.019527 0.472126 0.481733
C 1.080768 0.132393 0.260846
C -0.045248 -1.317011 2.080662
C 0.626840 -2.390969 -0.041927
C 1.289637 0.553267 -1.084383
C 1.786425 0.820943 1.282339
C -3.690300 2.201029 0.013984
C -4.250387 -0.142111 -0.392466
C 2.162918 1.616899 -1.393407
C 2.663615 1.888619 0.977160
C 2.857210 2.292658 -0.361686
H -1.885121 -1.687142 0.067604
H -1.191719 -0.625900 -1.171777
H -2.341353 0.284782 1.540085
H -1.318101 1.328334 0.500365
H -0.762504 -2.143435 2.218566
H 0.912608 -1.619148 2.541982
H -0.426116 -0.430461 2.616758
H 0.760502 0.045308 -1.898699
H 1.653640 0.530832 2.328817
H -2.878154 2.947193 -0.051145
H -4.112365 2.238942 1.051976
H -4.489333 2.502274 -0.687408
H -3.872135 -1.094342 -0.799602
H -5.063768 0.208502 -1.052684
H -4.688690 -0.346193 0.619245
H 2.576147 -1.651829 -0.309499
H 2.335833 -3.359441 -0.693653
H 2.300693 1.920369 -2.437391
H 3.192435 2.403311 1.787558
H 3.534099 3.120744 -0.599346


