%chk=000043335.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043335

0 1
 O   -2.034800      0.2767000     -0.3497000    
 O    4.942200      8.0799997E-02 -0.9814000    
 O   -1.286800      -1.767200      0.3523000    
 N   -5.696500      0.6600000     -0.1441000    
 N   0.1748000     -0.1125000     -0.4260000    
 C   -6.623000       1.662600     -0.6721000    
 C   -5.873200      0.3665000       1.282100    
 C   -7.883600      0.9926000      -1.226200    
 C   -7.308600      0.2200000       1.796600    
 C   -8.862100      0.4518000     -0.1880000    
 C   -8.258200     -0.4981000      0.8433000    
 C   -4.304400       1.029900     -0.4068000    
 C   -3.369900     -0.1194000     -6.4000003E-02
 C    8.358700      0.7447000      0.4481000    
 C    7.042400       1.005200     -0.2811000    
 C   -1.053500     -0.6513000     -9.5899999E-02
 C    9.223700       2.003700      0.5009000    
 C    6.156700     -0.2325000     -0.3016000    
 C    10.52030       1.757400       1.255700    
 C    1.447300     -0.7195000     -0.3241000    
 C    3.828000     -0.6064000     -0.6072000    
 C    2.572400     -7.7000000E-03 -0.7089000    
 C    1.545200      -2.014600      0.1594000    
 C    3.942200      -1.909300     -0.1224000    
 C    2.800700      -2.613500      0.2609000    
 H   -6.166500       2.188400      -1.521400    
 H   -6.863900       2.438500      6.4900003E-02
 H   -5.376700       1.122400       1.905100    
 H   -5.395500     -0.5956000       1.500500    
 H   -8.419500       1.724100      -1.844600    
 H   -7.595800      0.1801000      -1.906700    
 H   -7.269200     -0.3411000       2.739200    
 H   -7.712800       1.207500       2.052300    
 H   -9.339700       1.294300      0.3279000    
 H   -9.666100     -7.4400000E-02 -0.7178000    
 H   -7.764900      -1.346400      0.3551000    
 H   -9.084500     -0.9127000       1.434200    
 H   -4.012700       1.937400      0.1385000    
 H   -4.164100       1.260100      -1.471300    
 H   -3.405900     -0.3719000      0.9999000    
 H   -3.621800      -1.007100     -0.6570000    
 H    8.151100      0.4016000       1.469000    
 H    8.907400     -5.9200000E-02 -5.7500001E-02
 H    6.499900       1.829800      0.1982000    
 H    7.236200       1.332100      -1.310300    
 H    8.672500       2.814500      0.9913000    
 H    9.456300       2.338400     -0.5167000    
 H    5.970100     -0.5305000      0.7384000    
 H    6.661800      -1.048900     -0.8306000    
 H   0.1651000      0.8384000     -0.7870000    
 H    10.32170       1.454000       2.288500    
 H    11.11130      0.9719000      0.7740000    
 H    11.12390       2.670100       1.280000    
 H    2.488600       1.008100      -1.087000    
 H   0.7089000      -2.622000      0.4735000    
 H    4.897000      -2.422100     -5.3500000E-02
 H    2.889900      -3.630400      0.6324000    


%chk=000043335-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043335

0 1
O -2.128465 0.427853 -1.087139
O 4.767760 0.470988 -0.124359
O -1.693654 -1.298605 0.464704
N -5.661045 0.684752 0.257402
N 0.008499 0.069399 -0.471280
C -6.618799 1.808306 0.181160
C -5.979189 -0.432573 1.171556
C -7.687799 1.604471 -0.922637
C -7.472336 -0.837517 1.187773
C -8.738455 0.508601 -0.623425
C -8.163116 -0.868415 -0.200484
C -4.222391 0.978834 0.157827
C -3.586933 0.149625 -0.980636
C 8.557858 0.679861 0.263020
C 7.123078 0.996318 -0.217446
C -1.291223 -0.367098 -0.276427
C 9.614142 1.620517 -0.361267
C 6.083099 0.061645 0.403645
C 11.049152 1.315954 0.118664
C 1.200134 -0.430739 0.121869
C 3.636143 -0.237665 0.309224
C 2.411532 0.204441 -0.239516
C 1.207381 -1.516908 1.039909
C 3.663436 -1.319143 1.225451
C 2.441102 -1.938598 1.572976
H -6.051339 2.729652 -0.052415
H -7.119246 1.991630 1.160721
H -5.665758 -0.202239 2.222813
H -5.374521 -1.305911 0.855591
H -8.216962 2.565812 -1.094299
H -7.147591 1.355760 -1.857240
H -7.528967 -1.836756 1.662780
H -8.042865 -0.155022 1.849080
H -9.412845 0.862360 0.185385
H -9.374662 0.378054 -1.522229
H -7.449460 -1.231961 -0.965757
H -8.999516 -1.594831 -0.168123
H -3.683002 0.752636 1.105997
H -4.067251 2.051726 -0.058856
H -3.735656 -0.930540 -0.809037
H -3.999331 0.442582 -1.958173
H 8.609002 0.759943 1.369197
H 8.814576 -0.371073 0.013183
H 6.860896 2.040981 0.038575
H 7.066042 0.912071 -1.319763
H 9.354837 2.670565 -0.116227
H 9.565822 1.538142 -1.466062
H 6.082884 0.145590 1.510849
H 6.281453 -0.995641 0.128462
H 0.101747 0.847006 -1.128376
H 11.131898 1.422150 1.216890
H 11.344244 0.281656 -0.141121
H 11.783120 2.001782 -0.342677
H 2.430078 1.043813 -0.943863
H 0.270656 -2.003704 1.315097
H 4.600878 -1.675662 1.660096
H 2.453030 -2.775575 2.280235


