%chk=000047860.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047860

0 1
 O  -0.6586000       1.036000     -0.2874000    
 O    2.601500      -2.518800     -0.1488000    
 O  -0.1900000      -1.696400     -0.2027000    
 O    4.059400       1.916900     -0.2604000    
 N   -3.575600     -0.5007000      0.7861000    
 N    1.432800       2.865900     -0.3172000    
 C   -3.520600      0.7243000     -2.1299999E-02
 C   -4.933300       1.254600     -0.3031000    
 C   -5.800800      0.1902000     -0.9693000    
 C   -5.776800      -1.103000     -0.1617000    
 C   -2.692600       1.773400      0.7183000    
 C   -4.345100      -1.552100      0.1205000    
 C   -1.275700       1.289900      0.9669000    
 C   0.6304000      0.5707000     -0.2598000    
 C   0.8454000     -0.8085000     -0.2173000    
 C    1.694000       1.474000     -0.2738000    
 C    2.175100      -1.225100     -0.1905000    
 C    3.264000     -0.3596000     -0.2037000    
 C    3.021400       1.024500     -0.2459000    
 C    4.416300      -1.188500     -0.1671000    
 C    3.959800      -2.486000     -0.1351000    
 C  -0.2792000      -2.566900      0.9226000    
 C    4.948300       1.885100      0.8507000    
 H   -3.037400      0.4970000     -0.9806000    
 H   -4.881500       2.137500     -0.9512000    
 H   -5.411000       1.574800      0.6323000    
 H   -5.427700     -3.8999999E-03  -1.982400    
 H   -6.830000      0.5523000      -1.068900    
 H   -6.309200     -0.9517000      0.7859000    
 H   -6.311400      -1.889200     -0.7064000    
 H   -3.160900       2.037500       1.674700    
 H   -2.657300       2.686600      0.1108000    
 H   -4.359900      -2.440500      0.7612000    
 H   -3.845400      -1.845600     -0.8107000    
 H   -4.007400     -0.2910000       1.686500    
 H  -0.7210000       2.074200       1.495900    
 H   -1.257300      0.3920000       1.594800    
 H    5.454300     -0.8899000     -0.1726000    
 H    2.203000       3.521300     -0.3312000    
 H   0.4796000       3.200000     -0.3643000    
 H    4.448900      -3.448500     -0.1045000    
 H   0.3592000      -3.442600      0.7765000    
 H   -1.314600      -2.909600       1.004800    
 H  -1.2000000E-02  -2.051300       1.851300    
 H    5.826700       1.280900      0.6101000    
 H    4.464800       1.510100       1.759600    
 H    5.285000       2.908200       1.042600    


%chk=000047860-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047860

0 1
O -0.618705 1.594681 0.239807
O 2.352868 -2.397819 -0.041539
O -0.479316 -1.214104 0.099081
O 4.107696 2.164839 -0.012311
N -3.902834 -0.558410 1.086747
N 1.624532 3.143935 0.172148
C -3.565619 0.601488 0.204494
C -4.798078 1.114893 -0.588529
C -5.462009 -0.038022 -1.383901
C -5.795969 -1.238343 -0.463834
C -2.900966 1.706310 1.052721
C -4.537402 -1.674262 0.333870
C -1.467822 1.346844 1.449283
C 0.625104 0.925988 0.199528
C 0.721321 -0.490083 0.143171
C 1.782272 1.763266 0.134402
C 2.024129 -1.017957 0.053173
C 3.213911 -0.222454 0.004559
C 3.081511 1.189223 0.039498
C 4.311720 -1.182822 -0.117040
C 3.761481 -2.443926 -0.141005
C -0.514395 -2.524240 0.779181
C 5.502249 1.733591 -0.007011
H -2.812516 0.233333 -0.521014
H -4.486247 1.922912 -1.280052
H -5.532577 1.557296 0.119180
H -4.762870 -0.375467 -2.176903
H -6.375533 0.322393 -1.894869
H -6.596437 -0.949473 0.249223
H -6.182549 -2.087855 -1.061569
H -3.500484 1.883610 1.970697
H -2.884417 2.658299 0.488026
H -4.787359 -2.483648 1.045903
H -3.779359 -2.072693 -0.370405
H -4.528866 -0.242725 1.847567
H -1.083924 1.987200 2.268307
H -1.407983 0.283065 1.734298
H 5.375908 -0.976162 -0.184077
H 2.443280 3.738438 0.098319
H 0.681750 3.520838 0.144523
H 4.187624 -3.440221 -0.220587
H 0.050933 -3.279603 0.207635
H -1.583371 -2.779794 0.828521
H -0.098641 -2.448374 1.801612
H 5.752846 1.171304 -0.926551
H 5.730589 1.120653 0.885615
H 6.092124 2.662560 0.024308


