%chk=000059781.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059781

0 1
 O   -3.612500      -2.142400     -0.4910000    
 O    3.122500       1.697900     -0.7349000    
 O    4.530200     -0.2053000      0.7208000    
 N   -1.710700      0.7586000      0.4925000    
 C   -4.166900      0.1780000     -0.1352000    
 C   -1.798400     -0.7059000      0.2397000    
 C   -4.079700      0.7373000       1.287800    
 C   -3.568200       1.179300      -1.126200    
 C   -2.619700       1.104000       1.612000    
 C   -2.136300       1.538500     -0.6926000    
 C   -3.237100      -1.019700     -0.1665000    
 C  -0.8096000      -1.192600     -0.8141000    
 C   0.6141000     -0.9264000     -0.4063000    
 C    1.214600      0.2734000     -0.7628000    
 C    1.308000      -1.884300      0.3205000    
 C    2.534700      0.5200000     -0.3852000    
 C    2.627800      -1.637700      0.6980000    
 C    3.241200     -0.4355000      0.3453000    
 C    2.993500       2.783700      0.1809000    
 C    5.552600     -0.6209000     -0.1828000    
 H   -5.185900     -0.1126000     -0.4040000    
 H   -1.605100      -1.234200       1.183200    
 H   -4.437900     -9.2000002E-03   2.007300    
 H   -4.717700       1.623400       1.384300    
 H   -4.184900       2.084400      -1.168600    
 H   -3.548300      0.7438000      -2.132900    
 H   -2.542900       2.175400       1.836500    
 H   -2.297300      0.5915000       2.527100    
 H   -1.456500       1.403400      -1.538100    
 H   -2.079800       2.610100     -0.4606000    
 H   -1.008900     -0.7584000      -1.802000    
 H  -0.9397000      -2.272900     -0.9684000    
 H   0.6878000       1.017800      -1.349700    
 H   0.8390000      -2.822800      0.6025000    
 H    3.171900      -2.385800       1.268200    
 H    1.939600       3.045400      0.3190000    
 H    3.517000       3.648200     -0.2367000    
 H    3.447600       2.531300       1.144300    
 H    6.521300     -0.3629000      0.2539000    
 H    5.452500     -0.1038000      -1.142300    
 H    5.513700      -1.704300     -0.3335000    


%chk=000059781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059781

0 1
O -3.501200 -2.241458 0.276773
O 3.105139 1.753464 -0.048212
O 4.778875 -0.571654 0.548298
N -1.909924 1.051930 -0.122503
C -4.322653 0.084013 0.144076
C -1.826599 -0.408499 0.221953
C -4.044931 1.161339 1.235968
C -4.162552 0.751494 -1.260615
C -2.613854 1.767791 0.988740
C -2.679908 1.259999 -1.391012
C -3.257669 -1.008041 0.232465
C -0.848183 -1.230167 -0.658590
C 0.624190 -1.029664 -0.324791
C 1.209856 0.262813 -0.320342
C 1.442328 -2.144678 -0.009702
C 2.575459 0.437582 -0.020466
C 2.817222 -1.978428 0.269035
C 3.399128 -0.694152 0.248727
C 3.618094 2.232722 1.255300
C 5.601071 -0.035312 -0.560996
H -5.323702 -0.363399 0.261003
H -1.451983 -0.466964 1.266190
H -4.121349 0.712080 2.242877
H -4.825618 1.942184 1.167006
H -4.884800 1.586636 -1.335546
H -4.411085 0.028064 -2.057776
H -2.675492 2.835943 0.714112
H -1.987997 1.694676 1.895823
H -2.153401 0.739418 -2.209163
H -2.650039 2.338961 -1.623602
H -1.034113 -0.986525 -1.723490
H -1.121580 -2.293215 -0.528662
H 0.590523 1.143463 -0.519032
H 1.005098 -3.149850 0.008406
H 3.461477 -2.834034 0.496299
H 2.790043 2.303472 1.986463
H 4.029874 3.234717 1.058952
H 4.403678 1.559623 1.644288
H 6.623544 0.038000 -0.159661
H 5.236048 0.957626 -0.880137
H 5.582586 -0.734172 -1.419054


