%chk=000118047.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118047

0 1
 O   -1.617900       1.966100      -1.236700    
 N   -2.958400     -0.1513000       1.268800    
 N   -2.561200     -0.4828000      -1.064900    
 C   -1.465700       1.336000      3.0500000E-02
 C   -2.389000      0.1534000      5.0099999E-02
 C   -3.524000      -2.299900      0.3495000    
 C   -3.853900      -1.274200       1.425400    
 C  -4.6500001E-02  0.9396000      0.2631000    
 C   -3.491100      -1.623500      -1.019500    
 C   0.5763000      3.9099999E-02 -0.6015000    
 C    1.911600     -0.3446000     -0.3960000    
 C   0.6549000       1.467600       1.343100    
 C    2.625200      0.1924000      0.7020000    
 C    1.982100       1.097300       1.562300    
 C    2.554300      -1.249800      -1.256000    
 C    3.960500     -0.1913000      0.9073000    
 C  -0.8216000       3.138300      -1.333300    
 C    3.881300      -1.620300      -1.036800    
 C    4.583200      -1.092100      4.2700000E-02
 H   -1.809800       2.039900      0.8005000    
 H   -4.261500      -3.109400      0.3571000    
 H   -2.543100      -2.747000      0.5562000    
 H   -4.888700     -0.9304000       1.322000    
 H   -3.740400      -1.711800       2.422100    
 H   -3.175100      -2.355200      -1.771000    
 H   -4.492100      -1.278700      -1.304100    
 H   -2.770300      0.4193000       2.087900    
 H   3.7599999E-02 -0.3635000      -1.456300    
 H   0.1829000       2.169900       2.025000    
 H    2.511200       1.522600       2.412600    
 H    2.025400      -1.675600      -2.106300    
 H    4.528100      0.2089000       1.744800    
 H   -1.137800       3.681600      -2.228800    
 H   0.2383000       2.898500      -1.457400    
 H  -0.9706000       3.796700     -0.4711000    
 H    4.366700      -2.321500      -1.709400    
 H    5.616300      -1.380900      0.2127000    


%chk=000118047-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118047

0 1
O -1.740716 1.987442 -0.521729
N -2.887569 -0.388061 -0.489042
N -2.429514 -0.609822 1.877940
C -1.316813 1.160121 0.618974
C -2.289135 -0.025655 0.707639
C -4.451340 -1.751862 0.842216
C -3.824152 -1.522735 -0.554295
C 0.131700 0.674198 0.481946
C -3.336077 -1.790262 1.918959
C 0.767393 0.611688 -0.760440
C 2.111477 0.127497 -0.881609
C 0.828000 0.238230 1.658328
C 2.814372 -0.306527 0.309470
C 2.135260 -0.239097 1.571804
C 2.784489 0.057415 -2.146764
C 4.159013 -0.789983 0.187916
C -1.185703 3.343184 -0.489611
C 4.094833 -0.419364 -2.235486
C 4.788749 -0.846558 -1.057980
H -1.426112 1.725929 1.566409
H -5.033959 -2.691308 0.844821
H -5.144393 -0.919722 1.068553
H -3.295129 -2.441091 -0.883196
H -4.608048 -1.306750 -1.303692
H -3.783263 -1.837706 2.928583
H -2.729538 -2.712915 1.798407
H -2.788540 0.265791 -1.267583
H 0.228371 0.938506 -1.657864
H 0.301871 0.260702 2.618800
H 2.660760 -0.573493 2.474457
H 2.252238 0.384419 -3.048436
H 4.687589 -1.117830 1.091408
H -1.569535 3.851095 -1.388352
H -0.078408 3.330054 -0.512553
H -1.525554 3.885400 0.416349
H 4.598574 -0.468851 -3.207262
H 5.816008 -1.218680 -1.140484


