%chk=000145308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145308

0 1
 O   -3.502100     -0.5660000     -2.6000000E-03
 N   0.5724000     -0.6249000     -3.0000000E-03
 C  -0.1031000     -0.1302000       1.207600    
 C  -0.1030000     -0.1201000      -1.209500    
 C    2.009400     -0.3694000     -2.0999999E-03
 C  -0.1735000       1.409600       1.268700    
 C  -0.1732000       1.420000      -1.257700    
 C  -0.7572000       2.042300      8.0000004E-03
 C   -1.494000     -0.7808000       1.287900    
 C   -1.494100     -0.7697000      -1.295000    
 C   -2.274300     -0.6506000     -3.0000000E-03
 C    2.504700     -0.3699000       1.448100    
 C    2.703300      -1.481900     -0.7951000    
 C    2.284600      0.9916000     -0.6523000    
 H   0.3455000     -0.4844000       2.140300    
 H   0.4188000     -0.4580000      -2.113900    
 H   0.7901000       1.864800       1.502900    
 H  -0.8115000       1.699800       2.114700    
 H  -0.9214000       1.643100      -2.037500    
 H   0.6395000       2.012800      -1.671100    
 H   -1.848300       1.939600      1.0800000E-02
 H  -0.5660000       3.122000      1.3300000E-02
 H   -2.080400     -0.3348000       2.099100    
 H   -1.396000      -1.854100       1.493100    
 H   -1.391800      -1.841600      -1.505500    
 H   -2.081600     -0.3256000      -2.106000    
 H    2.257800      -1.300200       1.975500    
 H    3.604000     -0.3400000       1.442500    
 H    2.224600      0.4931000       2.055500    
 H    2.392800      -1.506100      -1.845200    
 H    2.491800      -2.467800     -0.3643000    
 H    3.791500      -1.348300     -0.7852000    
 H    1.912800       1.884300     -0.1548000    
 H    3.371800       1.152400     -0.5437000    
 H    2.203900      0.9793000      -1.745200    


%chk=000145308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145308

0 1
O -3.472004 -0.854153 -0.003503
N 0.629703 -0.283206 0.047531
C -0.132112 0.156106 1.239767
C -0.104132 0.046939 -1.199063
C 2.130151 -0.360250 0.019521
C -0.456087 1.681977 1.226334
C -0.468343 1.561683 -1.321646
C -1.200303 2.096150 -0.065571
C -1.430656 -0.712412 1.329501
C -1.379053 -0.852818 -1.262746
C -2.210096 -0.797823 0.017951
C 2.681615 -0.652750 1.438860
C 2.541938 -1.553802 -0.892377
C 2.811614 0.941018 -0.513586
H 0.459345 -0.061883 2.142788
H 0.530947 -0.220123 -2.062292
H 0.498687 2.240567 1.298640
H -1.056272 1.948095 2.118656
H -1.093514 1.717616 -2.223019
H 0.463441 2.139327 -1.471993
H -2.239508 1.716065 -0.039075
H -1.282785 3.198482 -0.119844
H -2.113121 -0.358373 2.123705
H -1.117612 -1.744002 1.588071
H -1.041056 -1.900424 -1.392319
H -2.029648 -0.596815 -2.118783
H 2.188075 -1.535307 1.884958
H 3.762252 -0.868939 1.365225
H 2.563828 0.206988 2.123102
H 2.175641 -1.431035 -1.927365
H 2.126669 -2.494893 -0.490938
H 3.643195 -1.641625 -0.940439
H 2.531112 1.815231 0.101160
H 3.912947 0.839224 -0.485283
H 2.522942 1.145465 -1.560629


