%chk=000056443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056443

0 1
 O   -1.905600      -2.462800      0.4984000    
 O   -3.527800       2.527600     -0.5158000    
 O    3.431200       2.365700      6.8999998E-02
 O    5.425300      0.8783000       1.429800    
 N    2.363200      0.2639000      0.3422000    
 N    5.030900     -0.4553000     -0.4621000    
 C   -1.295300     -0.2217000      0.1463000    
 C   -1.719400       1.082300     -0.1180000    
 C   -3.713500      -1.017200      0.1010000    
 C   -4.137500      0.2867000     -0.1637000    
 C   -2.276900      -1.319000      0.2659000    
 C   -3.155900       1.384100     -0.2831000    
 C   6.9300003E-02 -0.4947000      0.2996000    
 C    1.003200      0.5359000      0.1886000    
 C  -0.7788000       2.113500     -0.2285000    
 C   0.5800000       1.837200     -7.4699998E-02
 C    6.260900      -1.211800     -0.4728000    
 C   -4.654100      -2.048300      0.2118000    
 C   -5.502000      0.5594000     -0.3177000    
 C   -6.012900      -1.772200      5.7300001E-02
 C   -6.436000     -0.4711000     -0.2070000    
 C    6.654500      -1.562200      -1.901900    
 C    6.126300      -2.463600      0.3854000    
 C    3.421200       1.162000      0.2652000    
 C    4.749800      0.5031000      0.4848000    
 H   0.4109000      -1.506600      0.5056000    
 H   -1.084500       3.136100     -0.4339000    
 H    7.048100     -0.5826000     -3.9700001E-02
 H    1.249100       2.681300     -0.1741000    
 H   -4.349800      -3.071100      0.4172000    
 H   -5.857500       1.565400     -0.5241000    
 H    2.597600     -0.7086000      0.5307000    
 H   -6.742100      -2.572700      0.1432000    
 H    4.329400     -0.6721000      -1.164800    
 H   -7.494500     -0.2587000     -0.3268000    
 H    7.605300      -2.104700      -1.924600    
 H    5.893600      -2.186900      -2.383200    
 H    6.767000     -0.6557000      -2.506800    
 H    5.874500      -2.204200       1.419500    
 H    7.061900      -3.032100      0.3984000    
 H    5.332800      -3.119000      8.8999998E-03


%chk=000056443-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056443

0 1
O -1.814596 -2.503706 0.333673
O -3.692890 2.639728 -0.404915
O 3.403337 2.485490 0.110724
O 5.597608 0.788925 1.391924
N 2.368452 0.366586 0.252457
N 5.062552 -0.498222 -0.485528
C -1.317414 -0.154240 0.090012
C -1.800879 1.173877 -0.103305
C -3.715433 -1.037564 0.052295
C -4.197256 0.291931 -0.139354
C -2.253800 -1.320299 0.171045
C -3.258468 1.456057 -0.228980
C 0.066574 -0.389044 0.206615
C 0.989357 0.683058 0.132865
C -0.868538 2.238736 -0.173890
C 0.513407 2.014014 -0.059231
C 6.324828 -1.288306 -0.472033
C -4.634438 -2.113500 0.131690
C -5.590296 0.522594 -0.248393
C -6.018634 -1.874439 0.022438
C -6.497568 -0.553044 -0.168099
C 6.645599 -1.757427 -1.903599
C 6.218203 -2.462544 0.527774
C 3.469684 1.235816 0.241840
C 4.812012 0.492105 0.448820
H 0.396339 -1.424708 0.356260
H -1.255996 3.251924 -0.319552
H 7.114680 -0.600124 -0.115915
H 1.227460 2.837537 -0.108469
H -4.237455 -3.122808 0.279161
H -5.932341 1.551970 -0.394702
H 2.582437 -0.618184 0.440008
H -6.725445 -2.708536 0.085023
H 4.437643 -0.602629 -1.289768
H -7.573813 -0.368764 -0.252431
H 7.598913 -2.313033 -1.912819
H 5.861368 -2.438352 -2.288086
H 6.743215 -0.902330 -2.596268
H 5.980095 -2.087583 1.537652
H 7.178994 -3.005791 0.582557
H 5.434402 -3.177572 0.216001


