%chk=000044970.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044970

0 1
 O  -0.5428000       1.452300      0.9234000    
 O   0.2860000       1.006100      -1.203800    
 N   -3.924800      -1.888100      0.1469000    
 N    1.650700       1.716900      0.5289000    
 C   -3.481500     -0.5517000      6.6200003E-02
 C    2.913600       1.728100     -0.2113000    
 C   -2.215600     -0.2068000      0.5399000    
 C    3.626700      0.4203000     -0.1377000    
 C   -1.811000       1.105800      0.4475000    
 C   -4.309100      0.4253000     -0.4871000    
 C   -2.605100       2.092000     -9.3099996E-02
 C   -3.871000       1.747100     -0.5667000    
 C   -2.976600      -2.981800      7.0200004E-02
 C   -5.335600      -2.185900      0.2935000    
 C    4.539300      0.1802000      0.8897000    
 C    3.381500     -0.5629000      -1.096200    
 C   0.4586000       1.357600     -4.0500000E-02
 C    5.206600      -1.042800      0.9583000    
 C    4.048700      -1.785900      -1.027700    
 C    4.961300      -2.025800     -3.0000001E-04
 H    3.527600       2.530800      0.2128000    
 H    2.713100       2.000000      -1.254600    
 H   -1.552300     -0.9408000      0.9871000    
 H   -5.295300      0.1882000     -0.8761000    
 H   -2.263900       3.120600     -0.1548000    
 H   -4.514000       2.507700     -0.9998000    
 H   -3.476900      -3.921500     -0.1893000    
 H   -2.476900      -3.130100       1.033200    
 H   -2.220400      -2.803600     -0.7027000    
 H   -5.849300      -2.116400     -0.6711000    
 H   -5.817200      -1.507400       1.006800    
 H   -5.487000      -3.202000      0.6749000    
 H    1.664000       1.974700       1.510900    
 H    4.738000      0.9372000       1.643800    
 H    2.675400     -0.3893000      -1.903800    
 H    5.916800      -1.229900       1.758500    
 H    3.858200      -2.551200      -1.774400    
 H    5.480800      -2.978100      5.3100001E-02


%chk=000044970-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044970

0 1
O -0.463285 1.016074 0.292119
O 0.161728 -0.666930 -1.289542
N -4.628726 -1.465518 -0.761649
N 1.679487 0.866948 -0.368648
C -3.942204 -0.454768 -0.078784
C 2.864108 0.376670 -1.084157
C -2.535988 -0.277534 -0.285671
C 4.017053 0.006130 -0.154280
C -1.862770 0.742093 0.412207
C -4.618732 0.415909 0.833650
C -2.519563 1.606228 1.316166
C -3.904234 1.423616 1.511572
C -3.911634 -2.337425 -1.700727
C -6.066727 -1.651412 -0.541229
C 5.341654 0.394365 -0.471640
C 3.787021 -0.756753 1.018918
C 0.434254 0.303663 -0.538147
C 6.421488 0.021050 0.361580
C 4.862975 -1.127510 1.854638
C 6.184761 -0.741295 1.527905
H 3.206518 1.132129 -1.818887
H 2.525998 -0.505822 -1.659305
H -1.976035 -0.913866 -0.968513
H -5.691538 0.310452 1.013368
H -1.954004 2.383764 1.835447
H -4.438500 2.081002 2.206877
H -4.618293 -3.056423 -2.144871
H -3.107542 -2.913138 -1.198645
H -3.446886 -1.760711 -2.525959
H -6.651484 -0.754906 -0.835212
H -6.295889 -1.871575 0.521979
H -6.423115 -2.500359 -1.145916
H 1.762833 1.649950 0.280921
H 5.530229 0.990946 -1.373338
H 2.763780 -1.056972 1.273367
H 7.441348 0.328486 0.104282
H 4.673179 -1.718420 2.757826
H 7.019336 -1.029237 2.176902


