%chk=000041843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041843

0 1
 O   -4.626300     -0.2551000      0.4564000    
 O   -3.243700     -0.9390000      -1.210800    
 O    2.047300       2.439400     -0.8215000    
 N    1.447200      0.6179000      5.6499999E-02
 N    2.278800       1.643200      9.6400000E-02
 C   0.1673000      0.8518000      0.7162000    
 C  -0.9538000      0.1311000     -3.3700000E-02
 C    2.069300     -0.6009000      0.5924000    
 C    2.958600      -1.296800     -0.4309000    
 C   -2.318100      0.3394000      0.6166000    
 C    3.589700      -2.572500      0.1089000    
 C   -3.416400     -0.3586000     -0.1465000    
 H  -8.7399997E-02   1.922100      0.7103000    
 H   0.1873000      0.5606000       1.775500    
 H  -0.7476000     -0.9453000     -8.8600002E-02
 H  -0.9867000      0.4911000      -1.070900    
 H    1.298600      -1.330700      0.8764000    
 H    2.630600     -0.3943000       1.515500    
 H    2.371500      -1.544900      -1.323900    
 H    3.762900     -0.6254000     -0.7551000    
 H   -2.557100       1.407900      0.6531000    
 H   -2.305000     -5.8499999E-02   1.637200    
 H    2.821800      -3.294500      0.4043000    
 H    4.218300      -3.038300     -0.6564000    
 H    4.215900      -2.359700      0.9812000    
 H   -5.331300     -0.7037000     -5.7500001E-02


%chk=000041843-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041843

0 1
O -4.564479 -0.041409 -0.036489
O -3.040837 -0.971552 -1.520878
O 1.100001 2.802682 -0.264457
N 1.600566 0.741036 0.478004
N 2.017491 1.900980 -0.153854
C 0.225082 0.600973 1.003387
C -0.808333 0.215172 -0.082530
C 2.630425 -0.301899 0.636314
C 2.335257 -1.602665 -0.146908
C -2.233378 0.213778 0.503152
C 3.470613 -2.631713 0.039946
C -3.261440 -0.330238 -0.471010
H -0.054290 1.581044 1.437812
H 0.249472 -0.154955 1.809751
H -0.577603 -0.779345 -0.502571
H -0.747449 0.940874 -0.911922
H 2.746812 -0.537307 1.714119
H 3.575153 0.148529 0.282996
H 1.378178 -2.041444 0.196448
H 2.212857 -1.359270 -1.219154
H -2.547183 1.227622 0.812425
H -2.287142 -0.413986 1.416894
H 3.600684 -2.898277 1.105873
H 3.255062 -3.561641 -0.515198
H 4.434432 -2.234611 -0.329089
H -5.218250 -0.426078 -0.681960


