%chk=000101621.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101621

0 1
 O   -1.428300      -1.233000      0.4689000    
 O  -7.4400000E-02  0.2239000     -0.6994000    
 O    6.694000      0.2449000      -1.275000    
 O    6.482200       1.675300      0.3823000    
 N   -4.995900      0.6474000      0.7499000    
 N    6.042800      0.7350000     -0.3219000    
 C   -4.073700       1.401000     -0.1206000    
 C   -5.128100     -0.6414000      4.4399999E-02
 C   -4.556700       1.099000      -1.543400    
 C   -5.257200     -0.2576000      -1.433900    
 C   -2.666400      0.8294000      0.1421000    
 C   -3.829400      -1.423200      0.3241000    
 C   -2.577900     -0.6748000     -0.1558000    
 C   -6.277000       1.323900      0.9371000    
 C  -0.2256000     -0.6862000      0.1042000    
 C   0.8834000      -1.387700      0.8517000    
 C    2.247500     -0.8273000      0.5418000    
 C    2.980700      -1.358900     -0.5086000    
 C    2.748300      0.2122000       1.311800    
 C    4.243000     -0.8397000     -0.7956000    
 C    4.010600      0.7317000       1.024800    
 C    4.758100      0.2058000     -2.8999999E-02
 H   -4.069000       2.475600      9.4300002E-02
 H   -5.982200      -1.232400      0.3936000    
 H   -3.740700       1.078900      -2.273200    
 H   -5.277000       1.855800      -1.876000    
 H   -6.311500     -0.1473000      -1.714000    
 H   -4.814800      -1.000900      -2.105200    
 H   -1.970000       1.404300     -0.4755000    
 H   -2.378000       1.022100       1.184600    
 H   -3.746700      -1.628400       1.400400    
 H   -3.867700      -2.407200     -0.1598000    
 H   -2.481900     -0.8299000      -1.238600    
 H   -6.124900       2.278400       1.453100    
 H   -6.928900      0.7210000       1.578700    
 H   -6.813500       1.525700      4.3000001E-03
 H   0.8556000      -2.453700      0.5960000    
 H   0.6874000      -1.302500       1.927500    
 H    2.587200      -2.171500      -1.112700    
 H    2.172600      0.6300000       2.132900    
 H    4.796200      -1.274000      -1.624400    
 H    4.378900       1.546400       1.643100    


%chk=000101621-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101621

0 1
O -1.339506 -1.054783 0.696013
O -0.230158 -1.234038 -1.351759
O 6.378334 1.153267 -1.276557
O 6.464665 1.629511 0.952304
N -4.903212 1.091277 0.598125
N 5.900150 1.091371 -0.078079
C -3.989946 1.443946 -0.537908
C -5.081576 -0.382047 0.384803
C -4.581224 0.690291 -1.787378
C -5.313717 -0.548323 -1.164802
C -2.571857 0.933846 -0.169048
C -3.777905 -1.080423 0.854464
C -2.596705 -0.599289 -0.003129
C -6.174768 1.853134 0.601843
C -0.239683 -1.337986 -0.102177
C 0.931962 -1.822468 0.754727
C 2.220263 -1.042118 0.521049
C 2.785018 -0.935057 -0.778762
C 2.883116 -0.427914 1.614990
C 3.988921 -0.235717 -0.983138
C 4.089822 0.275151 1.429901
C 4.627634 0.358542 0.127934
H -3.963290 2.538384 -0.676453
H -5.932780 -0.750469 0.982707
H -3.791875 0.400438 -2.503406
H -5.291727 1.338802 -2.329752
H -6.392185 -0.532531 -1.400806
H -4.913057 -1.507451 -1.539216
H -1.839468 1.218692 -0.946168
H -2.274949 1.398957 0.787949
H -3.598405 -0.811954 1.910455
H -3.875629 -2.179906 0.785460
H -2.596733 -1.085072 -0.996431
H -5.951828 2.925626 0.742358
H -6.791093 1.522712 1.456723
H -6.786616 1.746753 -0.325717
H 1.096418 -2.884931 0.484710
H 0.636101 -1.789754 1.814388
H 2.263158 -1.387793 -1.627120
H 2.451764 -0.500851 2.619456
H 4.439097 -0.142509 -1.974853
H 4.614571 0.752785 2.261301


