%chk=000038841.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038841

0 1
 O    3.945700     -0.9701000      0.1819000    
 O   -2.200200      0.1220000      -1.694000    
 N   -4.607400      0.6196000     -8.7800004E-02
 N   -1.608600     -0.9745000      0.3013000    
 C   -3.940600     -0.6677000     -0.2213000    
 C   -6.016700      0.4381000      0.2676000    
 C   -3.935600       1.449200      0.9150000    
 C   -2.500000     -0.4485000     -0.6500000    
 C    5.931200      0.3676000      0.1430000    
 C   -6.752000     -0.3627000     -0.7937000    
 C   -4.622900       2.796000       1.063300    
 C    6.656400       1.531900     -0.5257000    
 C    4.572500      0.1116000     -0.4935000    
 C  -0.2138000     -0.9721000      0.2721000    
 C    2.575200     -0.9694000      0.2124000    
 C   0.5068000      -1.548000       1.318400    
 C   0.4602000     -0.3948000     -0.8041000    
 C    7.993900       1.811900      0.1405000    
 C    1.901300      -1.546800       1.288600    
 C    1.854700     -0.3935000     -0.8339000    
 H   -4.370700      -1.274700      -1.025800    
 H   -4.006900      -1.256200      0.7016000    
 H   -6.133800     -4.5200001E-02   1.245700    
 H   -6.537200       1.400000      0.3097000    
 H   -3.892900      0.9515000       1.892300    
 H   -2.904200       1.661700      0.6119000    
 H    6.539500     -0.5437000      8.3899997E-02
 H    5.797100      0.5690000       1.213400    
 H   -6.556300      2.2100000E-02  -1.800500    
 H   -6.498800      -1.426900     -0.7646000    
 H   -7.832400     -0.2944000     -0.6226000    
 H   -3.970200       3.478200       1.620000    
 H   -5.556100       2.731600       1.631200    
 H   -4.823600       3.261200      9.2100002E-02
 H    6.820900       1.308300      -1.586200    
 H    6.037300       2.435300     -0.4769000    
 H    4.696000     -0.1483000      -1.551200    
 H    3.984400       1.035100     -0.4114000    
 H   -2.014100      -1.415200       1.123900    
 H  -5.2000000E-03  -2.001700       2.163300    
 H  -2.6900001E-02  6.3400000E-02  -1.653300    
 H    8.651000      0.9382000      8.3400004E-02
 H    8.496700       2.648100     -0.3552000    
 H    7.860000       2.073200       1.195200    
 H    2.457600      -1.997000       2.106200    
 H    2.341200      4.0600002E-02  -1.702500    


%chk=000038841-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038841

0 1
O 4.056199 -0.337895 0.704707
O -2.289372 0.632419 -1.207136
N -4.966264 0.425008 0.099970
N -1.593554 -0.737031 0.569126
C -3.989128 -0.668878 0.032977
C -6.370989 -0.042477 -0.005371
C -4.720867 1.346279 1.240115
C -2.555978 -0.172032 -0.269125
C 6.288975 0.350859 0.081064
C -6.735602 -0.572862 -1.405473
C -5.346260 2.739164 1.036532
C 7.185011 1.171452 -0.875893
C 4.803968 0.489785 -0.260311
C -0.175608 -0.581920 0.535683
C 2.657114 -0.371006 0.589749
C 0.587224 -1.291215 1.505206
C 0.496358 0.236156 -0.407153
C 8.684434 1.042286 -0.531638
C 1.986599 -1.188093 1.534414
C 1.904804 0.337997 -0.378419
H -4.270156 -1.341410 -0.798258
H -3.981978 -1.299777 0.967132
H -6.605383 -0.821299 0.768058
H -7.021202 0.821996 0.215941
H -5.076061 0.904776 2.208260
H -3.626191 1.473833 1.331889
H 6.569478 -0.719022 0.035956
H 6.449820 0.681651 1.125117
H -6.485937 0.182845 -2.169744
H -6.201733 -1.506607 -1.659726
H -7.818478 -0.790084 -1.459277
H -5.061886 3.409196 1.869012
H -6.449997 2.705941 1.000560
H -4.981666 3.173744 0.090368
H 7.015913 0.836677 -1.919730
H 6.888176 2.239516 -0.837511
H 4.597862 0.134934 -1.292358
H 4.474939 1.547322 -0.177695
H -1.950925 -1.348877 1.307556
H 0.081257 -1.929540 2.241401
H -0.088358 0.783217 -1.148858
H 9.015257 -0.011403 -0.592565
H 9.309346 1.634125 -1.224919
H 8.886777 1.398759 0.495682
H 2.579660 -1.730336 2.276752
H 2.396902 0.975822 -1.118366


