%chk=000027082.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027082

0 1
 O   0.6726000      0.7257000     -1.9200001E-02
 O    1.002700     -0.7361000      -1.766600    
 N   -2.897300     -0.1777000      0.1343000    
 N    6.817600     -0.1501000      0.8565000    
 C   -3.430500       1.127200      0.5253000    
 C   -3.613600      -1.249700      0.8245000    
 C   -1.465500     -0.2515000      0.4221000    
 C   -2.767600       2.263700     -0.2691000    
 C   -5.127500      -1.162300      0.5743000    
 C   -3.205000       1.322000       2.024100    
 C   -3.069900      -2.594300      0.3432000    
 C  -0.7085000      0.8235000     -0.3413000    
 C   -2.966600       2.152600      -1.775300    
 C   -5.510800      -1.271800     -0.8960000    
 C    1.416100     -9.1300003E-02 -0.8154000    
 C    2.834000     -0.1074000     -0.3752000    
 C    3.583800      -1.247300     -0.5817000    
 C    3.358800       1.018600      0.2258000    
 C    4.916200      -1.261800     -0.1692000    
 C    4.691100       1.004100      0.6382000    
 C    5.469900     -0.1361000      0.4407000    
 H   -4.498700       1.214900      0.3063000    
 H   -3.450800      -1.241800       1.908300    
 H   -1.053300      -1.196100      5.0000001E-02
 H   -1.205000     -0.2499000       1.487100    
 H   -3.503200       3.070900     -6.3000001E-02
 H   -1.960400       2.888500      0.1186000    
 H   -5.605200      -2.002800       1.097200    
 H   -5.587000     -0.2785000       1.027100    
 H   -3.726600      0.6027000       2.659600    
 H   -2.154700       1.374100       2.323900    
 H   -3.625600       2.296200       2.309400    
 H   -2.109800      -2.840700      0.8098000    
 H   -2.942900      -2.633000     -0.7449000    
 H   -3.751000      -3.408000      0.6197000    
 H  -0.8321000      0.8185000      -1.424000    
 H  -0.7667000       1.786500      0.1044000    
 H   -2.701400       1.179100      -2.193300    
 H   -4.015500       2.332000      -2.040700    
 H   -2.368500       2.914400      -2.286300    
 H   -5.078300     -0.4650000      -1.494800    
 H   -5.203100      -2.228300      -1.328200    
 H   -6.599500      -1.207300     -0.9972000    
 H    3.163000      -2.130800      -1.052600    
 H    2.777800       1.923200      0.3786000    
 H    5.512700      -2.156500     -0.3281000    
 H    5.112200       1.888700       1.109400    
 H    7.218900      0.6651000       1.300500    
 H    7.382200     -0.9772000      0.7155000    


%chk=000027082-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027082

0 1
O 0.655250 0.418082 -0.524176
O 0.717892 -1.911327 -0.324609
N -2.997745 0.272446 0.524492
N 6.986776 -0.260153 0.286657
C -3.766547 1.438079 1.049370
C -3.726737 -1.034133 0.638927
C -1.533318 0.329494 0.682629
C -3.458337 2.749019 0.276025
C -4.694973 -1.239468 -0.568932
C -3.600277 1.640646 2.583935
C -2.807254 -2.260549 0.836297
C -0.824364 0.334489 -0.690992
C -3.924745 2.716047 -1.193469
C -4.004143 -1.488368 -1.924699
C 1.323694 -0.804588 -0.338429
C 2.783074 -0.624972 -0.177907
C 3.594411 -1.776931 0.013470
C 3.406173 0.652774 -0.209234
C 4.982845 -1.663825 0.168075
C 4.794858 0.777837 -0.055990
C 5.609491 -0.380134 0.135328
H -4.833756 1.202640 0.861438
H -4.377779 -0.985652 1.545890
H -1.134618 -0.515857 1.272872
H -1.247246 1.251026 1.223438
H -3.951689 3.588360 0.806496
H -2.369896 2.955358 0.323663
H -5.366870 -2.089783 -0.328099
H -5.340958 -0.342859 -0.654450
H -3.791820 0.697327 3.128483
H -2.579175 1.981337 2.838989
H -4.309329 2.402556 2.958948
H -2.315019 -2.249726 1.825301
H -2.016114 -2.339346 0.070798
H -3.422374 -3.177552 0.783461
H -1.070782 -0.579084 -1.257860
H -1.087519 1.231721 -1.273604
H -3.499001 1.838318 -1.711398
H -5.027038 2.639852 -1.257445
H -3.617409 3.628257 -1.737504
H -3.322034 -0.653551 -2.166058
H -3.415899 -2.423900 -1.921305
H -4.749534 -1.564526 -2.737921
H 3.107000 -2.757450 0.036268
H 2.784885 1.540514 -0.357005
H 5.595038 -2.561949 0.314449
H 5.262871 1.769417 -0.083667
H 7.437295 0.650207 0.261231
H 7.570245 -1.081221 0.420123


