%chk=000064419.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064419

0 1
 O   -2.108800       1.722400     -0.2826000    
 N   -1.575400     -0.3444000      0.6261000    
 N   -5.487200      -1.546200     -0.1822000    
 C    2.142500     -0.2675000     -0.2332000    
 C    3.924100       1.470700      0.2450000    
 C    4.178200     -0.8663000       1.153200    
 C    4.426700     -0.4410000      -1.318300    
 C    2.417000       1.228100      5.1700000E-02
 C    2.670400      -1.102500      0.9575000    
 C    2.918200     -0.6786000      -1.507200    
 C    4.425100      0.6263000       1.428500    
 C    4.672300       1.049400      -1.030700    
 C    4.925100      -1.275800     -0.1270000    
 C   0.6423000     -0.5051000     -0.4249000    
 C  -0.1698000     -0.1002000      0.7951000    
 C   -2.443600      0.6018000      9.2699997E-02
 C   -3.872600      0.2049000      8.1000002E-03
 C   -4.852600       1.167100      4.0100001E-02
 C   -4.207500      -1.117800     -0.1013000    
 C   -6.181300      0.7653000     -4.0700000E-02
 C   -6.443200     -0.5908000     -0.1498000    
 H    4.105400       2.532700      0.4454000    
 H    4.539600      -1.463000       1.998300    
 H    4.963700     -0.7358000      -2.226800    
 H    1.913200       1.568800      0.9622000    
 H    2.043700       1.848800     -0.7729000    
 H    2.481300      -2.170200      0.7884000    
 H    2.171400     -0.8344000       1.894700    
 H    2.560800     -0.1038000      -2.371300    
 H    2.738100      -1.736800      -1.736500    
 H    5.495400      0.8050000       1.588900    
 H    3.911000      0.9282000       2.349200    
 H    4.335000       1.655600      -1.880400    
 H    5.747000       1.235900     -0.9133000    
 H    6.004200      -1.130700      6.5000001E-03
 H    4.769800      -2.343200     -0.3262000    
 H   0.4557000      -1.564100     -0.6485000    
 H   0.2847000      5.3500000E-02  -1.300200    
 H   0.1135000     -0.6751000       1.680000    
 H  -5.4499999E-02  0.9608000       1.029600    
 H   -1.926400      -1.232700      0.9673000    
 H   -4.621100       2.223800      0.1307000    
 H   -3.482300      -1.920800     -0.1641000    
 H   -6.986500       1.490600     -1.7899999E-02
 H   -7.462900     -0.9559000     -0.2156000    


%chk=000064419-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064419

0 1
O -2.298703 1.864974 0.589134
N -1.649170 -0.374447 0.573952
N -5.612938 -1.417841 -0.783182
C 2.198004 -0.283962 -0.153929
C 4.020398 1.495158 0.093358
C 4.312332 -0.766877 1.205579
C 4.469195 -0.563154 -1.315645
C 2.491932 1.241038 -0.017323
C 2.782683 -1.016694 1.092965
C 2.942022 -0.811659 -1.420895
C 4.573954 0.757740 1.343508
C 4.732115 0.960924 -1.178885
C 5.024089 -1.300015 -0.066786
C 0.678544 -0.559818 -0.331475
C -0.225321 -0.099944 0.837500
C -2.587598 0.634271 0.438276
C -3.997203 0.200621 0.114659
C -5.051313 1.108099 0.390726
C -4.334611 -1.038952 -0.489647
C -6.377220 0.734577 0.094200
C -6.612678 -0.537677 -0.479548
H 4.202831 2.583521 0.192930
H 4.703380 -1.293474 2.098957
H 4.967713 -0.947553 -2.227696
H 1.986823 1.650941 0.879848
H 2.078629 1.778407 -0.895530
H 2.580129 -2.105516 1.014920
H 2.288899 -0.657417 2.018288
H 2.538865 -0.304917 -2.322082
H 2.743147 -1.897060 -1.542360
H 5.661137 0.948016 1.446925
H 4.085174 1.145842 2.260216
H 4.355766 1.492523 -2.076176
H 5.821753 1.154972 -1.115604
H 6.118036 -1.139875 0.014918
H 4.859378 -2.392321 -0.165303
H 0.536953 -1.650958 -0.491594
H 0.326725 -0.054609 -1.253913
H 0.070894 -0.600183 1.779183
H -0.150773 0.989278 0.991261
H -1.946954 -1.348971 0.509187
H -4.800296 2.082453 0.821871
H -3.562984 -1.759673 -0.790169
H -7.214675 1.408616 0.298793
H -7.629367 -0.871405 -0.715813


