%chk=000047330.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047330

0 1
 O   -2.034200       1.917200      0.1315000    
 O    1.818300     -7.5700000E-02  0.8993000    
 O   -3.714300       1.500500       1.645500    
 O   0.8476000     -0.4990000       2.937300    
 N  -0.4085000      0.1558000       1.099500    
 N   -1.533300       4.081200      -2.442000    
 C   -1.708400      0.1551000       1.722400    
 C   -2.381800      -1.222700       1.638300    
 C   -2.695600      -1.687900      0.2342000    
 C   -2.604500       1.261200       1.180800    
 C   -1.755000      -2.428700     -0.4818000    
 C   -3.925300      -1.375700     -0.3455000    
 C   0.7600000     -0.1710000       1.758600    
 C   -2.044700      -2.857400      -1.777200    
 C   -4.214800      -1.804600      -1.640800    
 C    3.101600     -0.3888000       1.452200    
 C   -3.274600      -2.545300      -2.356700    
 C    4.145300     -0.2358000      0.3850000    
 C    4.481600      -1.322400     -0.4226000    
 C    4.778900      0.9930000      0.1998000    
 C   -2.821000       2.962000     -0.4496000    
 C    5.451400      -1.180300      -1.414900    
 C    5.748800       1.135100     -0.7926000    
 C    6.085000      4.8400000E-02  -1.599900    
 C   -2.102500       3.585700      -1.560600    
 H   -1.551300      0.3961000       2.781800    
 H   -1.747100      -1.975100       2.125700    
 H   -3.314500      -1.211000       2.218200    
 H  -0.3441000      0.3999000      0.1155000    
 H  -0.7935000      -2.679700     -4.1999999E-02
 H   -4.669900     -0.8038000      0.2013000    
 H   -1.312600      -3.434300      -2.334700    
 H   -5.172700      -1.562400      -2.091700    
 H    3.317200      0.2841000       2.291500    
 H    3.099100      -1.417200       1.834300    
 H   -3.500100      -2.879300      -3.365300    
 H    3.993300      -2.284200     -0.2896000    
 H    4.524100       1.847600      0.8210000    
 H   -3.765400       2.540100     -0.8120000    
 H   -3.040700       3.714500      0.3162000    
 H    5.712800      -2.026100      -2.044000    
 H    6.241700       2.092000     -0.9373000    
 H    6.839900      0.1592000      -2.372900    


%chk=000047330-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047330

0 1
O -2.629511 1.836349 0.490657
O 1.866357 1.411029 0.932943
O -3.880697 0.532060 1.975516
O 1.267717 -0.190861 2.569976
N -0.320591 0.871146 1.215971
N -3.858562 5.066496 0.836634
C -1.456221 0.158720 1.799818
C -1.537662 -1.356484 1.364423
C -1.711251 -1.553941 -0.130941
C -2.780371 0.840800 1.479090
C -0.584740 -1.575354 -0.994893
C -3.005616 -1.698935 -0.697595
C 0.956260 0.621368 1.654286
C -0.747884 -1.727375 -2.390410
C -3.171138 -1.853487 -2.092770
C 3.318220 1.128566 1.206065
C -2.041908 -1.864282 -2.944575
C 3.846006 0.046248 0.288654
C 3.736783 -1.321155 0.655020
C 4.444605 0.383418 -0.951914
C -3.873319 2.522087 0.051795
C 4.212135 -2.331590 -0.210093
C 4.921981 -0.626339 -1.817187
C 4.805511 -1.986865 -1.447763
C -3.857973 3.925538 0.491114
H -1.349769 0.155367 2.902124
H -0.601491 -1.817829 1.724862
H -2.377553 -1.805825 1.923930
H -0.474499 1.521818 0.444660
H 0.423898 -1.485520 -0.573848
H -3.884314 -1.706020 -0.040069
H 0.133397 -1.745531 -3.041347
H -4.175996 -1.976639 -2.512968
H 3.797517 2.101579 1.016824
H 3.413436 0.849256 2.269353
H -2.168247 -1.989143 -4.025927
H 3.271816 -1.580279 1.612999
H 4.533369 1.438206 -1.240045
H -3.885815 2.459509 -1.048472
H -4.747603 1.994755 0.477415
H 4.125780 -3.384335 0.081286
H 5.385806 -0.355060 -2.772125
H 5.178336 -2.771163 -2.116273


