%chk=000047076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047076

0 1
 O   0.4263000      0.3259000      -1.608500    
 O  -0.7219000       1.130200       1.326200    
 N   -1.662500     -0.5917000      0.1250000    
 N   -5.201800      0.5099000      0.6265000    
 C   0.7801000      7.1300000E-02 -0.2384000    
 C  -0.5935000      0.2527000      0.4616000    
 C    1.860000       1.056400      0.2197000    
 C    1.330700      -1.365000     -0.1040000    
 C   -2.978500     -0.5002000      0.7564000    
 C   -3.888200      0.4552000     -1.9000000E-03
 C   -1.559700      -1.639700     -0.8866000    
 C    2.749400       1.536800     -0.7128000    
 C    1.134500      -2.022500       1.081100    
 C    1.897000       1.421800       1.545000    
 C    1.986500      -1.907400      -1.176800    
 C  -7.3299997E-02   1.640700      -1.765300    
 C    3.732700       2.434000     -0.2959000    
 C    1.631800      -3.320100       1.202500    
 C    2.880300       2.319100       1.961800    
 C    2.483500      -3.205000      -1.055400    
 C    3.798100       2.825100       1.041300    
 C    2.306100      -3.911300      0.1344000    
 C  -0.4313000       1.861800      -3.219600    
 C   -6.076500       1.443700     -8.5400000E-02
 C   -5.809600     -0.8216000      0.6690000    
 H   -3.362100      -1.522600      0.8222000    
 H   -2.840900     -0.1373000       1.782400    
 H   -3.433100       1.454100      3.1000001E-03
 H   -3.965700      0.1532000      -1.054700    
 H  -0.7622000      -1.529100      -1.611800    
 H   -2.491700      -1.669500      -1.461500    
 H   -1.449600      -2.600100     -0.3733000    
 H    2.740300       1.228200      -1.753400    
 H   0.6243000      -1.576300       1.927900    
 H    1.266900      0.9898000       2.313400    
 H    2.142700      -1.372600      -2.107500    
 H   -1.002200       1.803500      -1.209800    
 H   0.6221000       2.432500      -1.481500    
 H    4.452200       2.822200      -1.010800    
 H    1.496300      -3.869100       2.129900    
 H    2.945200       2.607900       3.006900    
 H    3.010600      -3.664900      -1.886300    
 H    4.567800       3.518600       1.367200    
 H    2.694100      -4.921200      0.2293000    
 H  -0.8417000       2.863500      -3.376300    
 H   0.4519000       1.740100      -3.855500    
 H   -1.168400       1.123300      -3.552400    
 H   -6.257900       1.132800      -1.120700    
 H   -7.042700       1.532000      0.4238000    
 H   -5.637900       2.447800     -9.8300003E-02
 H   -5.784300      -1.326600     -0.3036000    
 H   -5.342900      -1.460700       1.424600    
 H   -6.860400     -0.7510000      0.9766000    


%chk=000047076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047076

0 1
O 0.497075 0.292404 -1.761278
O -0.966773 1.145376 1.247513
N -1.690559 -0.700109 0.065169
N -5.295759 0.342637 0.746114
C 0.691983 0.106101 -0.300282
C -0.713217 0.221662 0.406729
C 1.733250 1.125691 0.229952
C 1.299551 -1.301358 -0.118470
C -2.983402 -0.614795 0.789721
C -3.951679 0.400293 0.132166
C -1.588505 -1.765089 -0.953375
C 2.713138 1.611114 -0.673867
C 1.223829 -1.947156 1.140288
C 1.828187 1.492686 1.595963
C 1.993534 -1.933706 -1.177884
C -0.191715 1.549870 -2.138468
C 3.750143 2.460676 -0.232795
C 1.825694 -3.208913 1.335404
C 2.868028 2.340877 2.037234
C 2.595235 -3.196885 -0.982121
C 3.832455 2.831991 1.128399
C 2.514748 -3.840743 0.274097
C -0.114114 1.656845 -3.660508
C -6.021722 1.626982 0.683169
C -6.114737 -0.780486 0.250975
H -3.426475 -1.626759 0.805170
H -2.797772 -0.293874 1.827001
H -3.529230 1.408094 0.289199
H -3.986505 0.220627 -0.974632
H -0.808434 -1.524070 -1.686863
H -2.555604 -1.840424 -1.484443
H -1.362813 -2.743212 -0.487296
H 2.658508 1.310829 -1.725827
H 0.697220 -1.465299 1.972923
H 1.078749 1.144333 2.309148
H 2.046295 -1.435561 -2.150125
H -1.245405 1.509425 -1.793284
H 0.302829 2.407892 -1.643727
H 4.494555 2.826164 -0.949509
H 1.758811 -3.696836 2.314421
H 2.920420 2.621059 3.095527
H 3.129120 -3.676997 -1.810350
H 4.636973 3.490041 1.476051
H 2.983789 -4.819476 0.425260
H -0.644048 2.563846 -4.004416
H 0.935392 1.719894 -3.997438
H -0.579835 0.778445 -4.140937
H -6.281806 1.943258 -0.359305
H -6.963225 1.548622 1.256974
H -5.409163 2.422737 1.141379
H -6.378134 -0.685578 -0.834394
H -5.582470 -1.738000 0.388140
H -7.055509 -0.836545 0.827309


