%chk=000031543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031543

0 1
 O   0.8940000      -2.830100     -0.1040000    
 N    2.672000      0.3758000      0.4070000    
 C    3.935200      0.8796000     -0.1151000    
 C    1.078000      -1.525000      0.4456000    
 C    2.397700     -0.9634000     -9.5600002E-02
 C  -0.1341000     -0.6437000      9.9299997E-02
 C    3.866300      0.9371000      -1.645700    
 C    4.174700       2.281800      0.4543000    
 C    5.057400     -6.6000000E-02  0.3263000    
 C   -1.476900      -1.210800      0.5835000    
 C   -2.660300     -0.3386000      0.2481000    
 C   -3.062200      0.6388000       1.146000    
 C   -3.327100     -0.5276000     -0.9532000    
 C   -4.156800       1.445800      0.8358000    
 C   -4.421600      0.2797000      -1.263400    
 C   -4.836400       1.266400     -0.3689000    
 H    1.144100      -1.639700       1.533900    
 H    3.166600      -1.686700      0.1945000    
 H    2.328800     -0.9959000      -1.188200    
 H    1.921600       1.010100      0.1377000    
 H  -0.1856000     -0.5155000     -0.9901000    
 H  -1.2400000E-02  0.3558000      0.5319000    
 H    2.958200       1.444000      -1.993500    
 H    4.716800       1.507400      -2.039800    
 H    3.920300     -4.6000000E-02  -2.124800    
 H    4.213700       2.266400       1.550000    
 H    5.123600       2.697800      9.6799999E-02
 H    3.378900       2.975600      0.1584000    
 H    5.079500      -1.011000     -0.2266000    
 H    5.003500     -0.2896000       1.398700    
 H    6.034500      0.4020000      0.1512000    
 H   -1.437600      -1.364900       1.669900    
 H   -1.638700      -2.208400      0.1550000    
 H   0.7878000      -2.736800      -1.066200    
 H   -2.538100      0.7878000       2.085800    
 H   -3.010200      -1.291700      -1.657300    
 H   -4.479400       2.214500       1.532000    
 H   -4.950500      0.1405000      -2.201700    
 H   -5.688300       1.895100     -0.6106000    


%chk=000031543-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031543

0 1
O 0.786811 -2.844064 -0.451911
N 2.656849 0.421106 -0.034839
C 4.083247 0.875108 -0.128629
C 1.025814 -1.474900 0.065040
C 2.281670 -0.882098 -0.617462
C -0.232472 -0.599116 -0.095263
C 4.607661 0.898186 -1.596569
C 4.117582 2.308337 0.456186
C 4.977239 -0.047877 0.737005
C -1.450608 -1.150680 0.695209
C -2.724557 -0.368207 0.415678
C -3.071531 0.768393 1.191757
C -3.577429 -0.733466 -0.658790
C -4.232701 1.520626 0.902564
C -4.739434 0.014869 -0.953412
C -5.071115 1.147258 -0.173528
H 1.242241 -1.632348 1.135798
H 3.104278 -1.599941 -0.457569
H 2.096885 -0.845222 -1.722950
H 2.025531 1.171542 -0.347141
H -0.493015 -0.522851 -1.173128
H -0.009585 0.427008 0.257707
H 4.002238 1.586087 -2.217529
H 5.659903 1.236504 -1.637018
H 4.560644 -0.108210 -2.052210
H 3.754683 2.303651 1.499103
H 5.144768 2.714081 0.439266
H 3.474825 2.992985 -0.131987
H 5.015772 -1.078694 0.340107
H 4.588031 -0.089179 1.769198
H 6.013337 0.336350 0.760641
H -1.210056 -1.117633 1.775723
H -1.579249 -2.215785 0.426429
H 0.618372 -2.776696 -1.427983
H -2.429546 1.060399 2.032796
H -3.331629 -1.616936 -1.261959
H -4.486232 2.392043 1.517469
H -5.388313 -0.286971 -1.783832
H -5.973909 1.726942 -0.396966


