%chk=000036020.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036020

0 1
 O   0.1317000       1.353900      -1.845300    
 N   -4.388100       2.518100      0.7001000    
 C  -0.9230000       1.004400      0.3242000    
 C   0.3422000       1.476400     -0.4336000    
 C   -1.224100     -0.4573000      1.9200001E-02
 C   -2.101700       1.961600      7.4000001E-02
 C    1.689100      0.8391000     -0.1227000    
 C  -0.3591000      -1.445900      0.5322000    
 C   0.8142000      -1.058800       1.396800    
 C    1.906800     -0.3066000      0.6718000    
 C   -3.280300       1.608400      0.9669000    
 C   -2.301400     -0.8617000     -0.7863000    
 C    2.813100       1.469100     -0.7075000    
 C  -0.5867000      -2.799500      0.2356000    
 C    3.227700     -0.7698000      0.8572000    
 C   -2.520900      -2.211100      -1.069900    
 C   -1.664300      -3.179500     -0.5600000    
 C    4.108600      0.9911000     -0.5186000    
 C    4.316200     -0.1319000      0.2658000    
 H  -0.7185000       1.088000       1.400200    
 H   0.4652000       2.548000     -0.2211000    
 H   -2.404000       1.959700     -0.9801000    
 H   -1.782900       2.989100      0.2963000    
 H   0.4771000     -0.4711000       2.259500    
 H    1.229500      -1.972700       1.843200    
 H   -2.991600       1.715300       2.018700    
 H   -3.644400      0.5878000      0.8407000    
 H   -2.975900     -0.1448000      -1.243800    
 H    2.677100       2.354800      -1.326200    
 H   7.7000000E-02  -3.568100      0.6240000    
 H    3.419500      -1.644100       1.476300    
 H  -0.5380000       2.008400      -2.104600    
 H   -3.356300      -2.502900      -1.699900    
 H   -1.832300      -4.228600     -0.7844000    
 H    4.949300       1.497800     -0.9825000    
 H    5.321200     -0.5112000      0.4233000    
 H   -5.181400       2.267200       1.288500    
 H   -4.700700       2.404900     -0.2634000    


%chk=000036020-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036020

0 1
O 0.167194 1.624217 -1.812628
N -4.448937 2.614593 0.690753
C -0.956509 0.962382 0.336282
C 0.329093 1.535215 -0.341226
C -1.196999 -0.505147 -0.014913
C -2.153468 1.911116 0.069683
C 1.668400 0.824728 -0.107258
C -0.346392 -1.483057 0.576391
C 0.781845 -1.036578 1.495219
C 1.894020 -0.296835 0.744999
C -3.347666 1.684277 1.021228
C -2.201192 -0.932383 -0.915692
C 2.774987 1.402242 -0.786002
C -0.526403 -2.851353 0.269425
C 3.219904 -0.786700 0.887301
C -2.373966 -2.300414 -1.224549
C -1.536974 -3.267510 -0.625874
C 4.083613 0.904046 -0.637607
C 4.310604 -0.200727 0.213630
H -0.753562 1.022575 1.427933
H 0.438851 2.572502 0.056756
H -2.507237 1.814084 -0.978354
H -1.827095 2.963110 0.193894
H 0.381059 -0.393825 2.306624
H 1.221615 -1.918120 1.994045
H -3.020162 1.901953 2.056373
H -3.638843 0.608544 0.995929
H -2.858309 -0.196291 -1.390544
H 2.583686 2.245360 -1.457924
H 0.136245 -3.595317 0.728329
H 3.391849 -1.652941 1.538071
H -0.583718 2.242895 -2.003310
H -3.154797 -2.608061 -1.929309
H -1.665110 -4.330910 -0.856888
H 4.914577 1.369623 -1.178901
H 5.320550 -0.604940 0.345599
H -5.172690 2.682280 1.413110
H -4.858163 2.452866 -0.235995


