%chk=000050183.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050183

0 1
 O   -2.871700      -1.644300      0.7474000    
 O   -5.499000     -0.8253000      0.4663000    
 N  -0.1280000     -0.2897000     -0.8395000    
 C    1.281300     -0.6804000     -0.6593000    
 C    2.052300      0.5577000     -0.1301000    
 C    1.799700      -1.149600      -2.025600    
 C    1.303300      -1.849600      0.3346000    
 C  -0.6922000      0.1579000      0.4199000    
 C    3.539400      0.3834000      7.6099999E-02
 C   -2.130200      0.5789000      0.2722000    
 C    4.006400     -5.5399999E-02   1.304000    
 C    4.405800      0.6661000     -0.9668000    
 C   -3.152700     -0.3449000      0.4435000    
 C   -2.410400       1.903500     -3.7300002E-02
 C    5.378900     -0.2159000       1.494500    
 C    5.778300      0.5056000     -0.7764000    
 C   -4.479100      6.2899999E-02  0.3029000    
 C    6.264800      6.4599998E-02  0.4543000    
 C   -3.736900       2.311200     -0.1779000    
 C   -4.771200       1.391000     -8.0000004E-03
 C   -5.938900      -1.527700     -0.6944000    
 H    1.895100       1.413100     -0.8036000    
 H    1.689000      0.8905000      0.8474000    
 H  -0.1859000      0.4612000      -1.528000    
 H    2.815500      -1.552800      -1.957100    
 H    1.169200      -1.948300      -2.435500    
 H    1.809400     -0.3305000      -2.754100    
 H    2.268900      -2.368400      0.2929000    
 H   0.5408000      -2.601800      9.7000003E-02
 H    1.172200      -1.540100       1.376600    
 H  -0.1936000       1.037500      0.8351000    
 H  -0.6609000     -0.6031000       1.205400    
 H    3.327500     -0.2754000       2.122500    
 H    4.038000       1.012600      -1.928200    
 H   -1.614500       2.630000     -0.1757000    
 H    5.757800     -0.5589000       2.452800    
 H    6.468200      0.7245000      -1.586100    
 H    7.333400     -6.0100000E-02  0.6026000    
 H   -3.964400       3.345100     -0.4207000    
 H   -5.802200       1.716000     -0.1186000    
 H   -3.709200      -2.123100      0.8710000    
 H   -5.116700      -2.095700      -1.140800    
 H   -6.353700     -0.8293000      -1.428100    
 H   -6.724300      -2.226800     -0.3945000    


%chk=000050183-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050183

0 1
O -2.786158 -1.808399 0.607483
O -5.325079 -1.422047 -0.064439
N -0.015236 -0.125486 -0.658013
C 1.416374 -0.533019 -0.550139
C 2.301477 0.667820 -0.004285
C 1.862568 -0.920099 -1.979573
C 1.530566 -1.767727 0.374653
C -0.758337 0.259824 0.566562
C 3.789716 0.403037 0.152532
C -2.213815 0.529685 0.224507
C 4.319797 -0.113906 1.365572
C 4.696695 0.670889 -0.908376
C -3.162835 -0.515251 0.228542
C -2.653711 1.830828 -0.134583
C 5.701790 -0.369282 1.509826
C 6.079938 0.418223 -0.770249
C -4.517782 -0.262164 -0.130044
C 6.589405 -0.106389 0.440315
C -3.994148 2.082190 -0.494933
C -4.941592 1.028498 -0.497557
C -6.739126 -1.283340 -0.410079
H 2.147310 1.517514 -0.700307
H 1.879392 0.968129 0.974742
H -0.159985 0.556423 -1.415744
H 2.920771 -1.231284 -1.994550
H 1.238223 -1.752233 -2.348694
H 1.745800 -0.067859 -2.678718
H 2.547297 -2.192990 0.324986
H 0.802299 -2.532681 0.053827
H 1.325045 -1.517993 1.431774
H -0.344270 1.165681 1.074100
H -0.702018 -0.578132 1.281595
H 3.641701 -0.311737 2.205062
H 4.313072 1.088513 -1.847769
H -1.928257 2.653295 -0.120629
H 6.086952 -0.765604 2.456561
H 6.759826 0.636278 -1.602091
H 7.662312 -0.299981 0.551297
H -4.311104 3.093664 -0.769007
H -5.982050 1.224230 -0.774309
H -3.586978 -2.394279 0.539592
H -6.859358 -0.942503 -1.456381
H -7.246376 -0.575749 0.273702
H -7.170607 -2.288389 -0.294063


