%chk=000045152.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045152

0 1
 O    3.159500      0.5333000     -0.1439000    
 O  -0.1957000     -0.3284000      -1.032800    
 O    2.197100      -1.500700     -0.6588000    
 N    6.759800      0.3314000      0.6296000    
 C    5.456100      0.9426000      0.4186000    
 C   -3.711600     -0.5994000     -4.8000002E-03
 C    4.426100     -0.1083000      3.6300000E-02
 C   -4.038000      0.7678000      0.1590000    
 C   -1.449900      2.9500000E-02 -0.6441000    
 C   -2.412800     -0.9520000     -0.4068000    
 C   -3.056300       1.742400     -8.3800003E-02
 C   -1.770900       1.374100     -0.4827000    
 C   -4.693400      -1.573700      0.2384000    
 C    7.239500     -0.3040000     -0.6002000    
 C    6.702700     -0.6498000       1.716000    
 C   -5.336500       1.120600      0.5611000    
 C   0.8747000      0.5310000     -0.6436000    
 C   -5.978500      -1.205300      0.6370000    
 C   -6.299600      0.1393000      0.7980000    
 C    2.127800     -0.2905000     -0.4925000    
 H    5.511200       1.716200     -0.3581000    
 H    5.130300       1.477500       1.320200    
 H    4.294700     -0.8612000      0.8195000    
 H    4.675600     -0.6024000     -0.9079000    
 H   -2.145300      -1.999000     -0.5371000    
 H   -3.287200       2.799500      3.0500000E-02
 H   -1.058600       2.169100     -0.6828000    
 H    8.295600     -0.5724000     -0.4786000    
 H    7.195800      0.3904000      -1.447100    
 H    6.706200      -1.222400     -0.8672000    
 H    7.723700     -0.9321000       1.998700    
 H    6.178100      -1.575500       1.457300    
 H    6.244500     -0.2204000       2.614200    
 H   -4.464800      -2.630800      0.1189000    
 H   -5.609600       2.165500      0.6934000    
 H    1.035400       1.281000      -1.424900    
 H   0.6867000      0.9967000      0.3317000    
 H   -6.728700      -1.968600      0.8217000    
 H   -7.300300      0.4255000       1.108400    


%chk=000045152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045152

0 1
O 3.183220 0.259692 0.155861
O -0.309103 -0.688405 0.049039
O 2.205318 -1.846237 -0.118032
N 6.963502 0.398026 0.322585
C 5.545019 0.793342 0.341987
C -4.010596 -0.580641 0.035378
C 4.540955 -0.360896 0.111044
C -4.280893 0.845318 0.072183
C -1.600222 -0.121728 0.057767
C -2.657842 -1.036907 0.028772
C -3.172595 1.749951 0.101147
C -1.853787 1.289213 0.094680
C -5.120657 -1.492781 0.006274
C 7.495414 -0.010842 -0.987674
C 7.405143 -0.452106 1.440584
C -5.641372 1.300340 0.078511
C 0.822954 0.220670 0.065371
C -6.433350 -1.018982 0.013315
C -6.698800 0.389426 0.049733
C 2.099514 -0.615623 0.021299
H 5.380959 1.562908 -0.435812
H 5.320524 1.263233 1.318238
H 4.598245 -1.136676 0.895599
H 4.671747 -0.845909 -0.873392
H -2.429946 -2.107283 0.000347
H -3.368784 2.828397 0.129477
H -1.030469 2.009265 0.119030
H 8.600578 -0.012879 -0.949923
H 7.185149 0.718509 -1.757724
H 7.172224 -1.027423 -1.325143
H 8.510029 -0.454406 1.485206
H 7.072213 -1.517951 1.373473
H 7.029160 -0.036974 2.393210
H -4.920037 -2.570295 -0.021664
H -5.838913 2.378924 0.106463
H 0.816969 0.898661 -0.813286
H 0.838303 0.845447 0.981242
H -7.271357 -1.724565 -0.009094
H -7.735015 0.744687 0.054733


