%chk=000004646.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004646

0 1
 O   -5.638600      -1.722800     -0.1689000    
 O   -5.671100      0.2825000      0.9183000    
 N    3.524000      4.6200000E-02 -0.2245000    
 N    4.748900     -0.7767000       1.404700    
 C    2.706500       1.001900     -0.9790000    
 C    1.256200      0.8679000     -0.6585000    
 C   0.4559000     -2.0999999E-03  -1.399100    
 C   0.6999000       1.611800      0.3822000    
 C   -1.456600      0.6156000     -5.8699999E-02
 C  -0.9005000     -0.1282000      -1.099300    
 C  -0.6565000       1.485600      0.6821000    
 C    3.850200      -1.201100     -0.6323000    
 C    4.072700      0.2721000      0.9915000    
 C    4.614600      -1.698500      0.3968000    
 C   -2.870900      0.4833000      0.2546000    
 C   -3.655300     -0.5587000     -9.9500000E-02
 C   -5.079500     -0.5788000      0.2898000    
 H    2.901600      0.8310000      -2.044900    
 H    3.079500       2.007200     -0.7476000    
 H   0.8764000     -0.5842000      -2.215000    
 H    1.312400       2.292700      0.9674000    
 H   -1.488000     -0.8027000      -1.715200    
 H   -1.072000       2.072500       1.497900    
 H    3.532800      -1.624200      -1.575300    
 H    3.957700       1.200300       1.534600    
 H    5.074700      -2.673600      0.4633000    
 H   -3.300000       1.300200      0.8313000    
 H   -3.284100      -1.415000     -0.6510000    
 H   -6.589600      -1.786000      6.3699998E-02


%chk=000004646-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004646

0 1
O -6.292155 -0.648221 -0.711730
O -5.609188 -0.241329 1.478455
N 3.695272 0.223490 -0.250655
N 5.397381 0.328929 1.249650
C 2.697429 0.654410 -1.241663
C 1.250914 0.444223 -0.800029
C 0.254482 0.155385 -1.768559
C 0.866862 0.575107 0.556955
C -1.491586 0.147204 -0.035608
C -1.094255 0.011556 -1.397493
C -0.482727 0.428830 0.930007
C 3.893215 -1.081775 0.223386
C 4.626481 1.035525 0.400625
C 4.942194 -0.997104 1.141884
C -2.880534 0.006894 0.417314
C -3.979489 -0.260769 -0.353479
C -5.313506 -0.368849 0.263027
H 2.875234 0.130689 -2.199854
H 2.876466 1.731083 -1.428708
H 0.540482 0.040427 -2.821564
H 1.626270 0.781023 1.319125
H -1.840477 -0.212804 -2.167003
H -0.768178 0.530944 1.983891
H 3.287554 -1.918015 -0.115988
H 4.701143 2.105735 0.217943
H 5.394485 -1.795724 1.725119
H -3.059425 0.131172 1.495722
H -3.934356 -0.405216 -1.436905
H -7.178689 -0.714620 -0.264465


