%chk=000126959.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126959

0 1
 O   -2.869300      -1.240000       1.046400    
 O    1.640200     -0.1476000       1.702200    
 O    5.147500      -1.899300      -2.333200    
 O    6.186600      -1.701800     -0.3250000    
 O   -4.708500      -2.503100       1.547600    
 N    1.019300       1.385700      3.0700000E-02
 N    3.551200       1.972500       2.190900    
 C    3.305200       1.381500      0.8737000    
 C    4.364600      0.3069000      0.5811000    
 C    1.905500      0.7692000      0.9285000    
 C    4.192400     -0.3797000     -0.7780000    
 C  -0.3264000       1.092900     -0.1913000    
 C   -3.048100      0.5111000     -0.6474000    
 C   -2.295400     -0.1995000      0.2887000    
 C  -0.9476000      7.6200001E-02  0.5262000    
 C   -4.461000      0.1534000     -0.8321000    
 C   -1.053200       1.819600      -1.132800    
 C   -2.403900       1.531500      -1.359800    
 C   -4.980200     -0.8408000     -9.7800002E-02
 C    5.277900      -1.388000      -1.081200    
 C   -5.297300      0.8986000      -1.831100    
 C   -4.199300      -1.599400      0.8938000    
 H    3.365200       2.167900      0.1137000    
 H    4.349900     -0.4623000       1.365600    
 H    5.362900      0.7632000      0.6225000    
 H    3.233700     -0.9083000     -0.8143000    
 H    4.207600      0.3789000      -1.568800    
 H    1.391400       2.142100     -0.5390000    
 H  -0.4548000     -0.5324000       1.270800    
 H  -0.5820000       2.617600      -1.701700    
 H   -2.932900       2.122700      -2.102800    
 H    2.903400       2.744900       2.343900    
 H    4.486000       2.378600       2.213800    
 H   -6.020500      -1.131700     -0.2082000    
 H   -4.885600      0.7911000      -2.840300    
 H   -5.347400       1.963300      -1.579400    
 H   -6.327100      0.5253000      -1.861300    
 H    5.857200      -2.544000      -2.540400    


%chk=000126959-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126959

0 1
O -2.934658 -1.125601 1.200829
O 1.683253 -0.009141 1.848744
O 4.922271 -1.827648 -2.489580
O 6.196586 -1.635655 -0.557257
O -4.793367 -2.353817 1.803721
N 1.072646 1.379312 0.050324
N 3.806447 2.078020 2.199795
C 3.409254 1.476538 0.914144
C 4.427266 0.373801 0.536546
C 1.980364 0.867535 0.985141
C 4.147106 -0.263996 -0.835811
C -0.293867 1.045711 -0.143349
C -3.046818 0.479159 -0.666912
C -2.325665 -0.173581 0.379335
C -0.969442 0.092602 0.652533
C -4.449705 0.134316 -0.875505
C -0.988109 1.717083 -1.196987
C -2.334918 1.434535 -1.447260
C -5.036843 -0.810099 -0.054382
C 5.200182 -1.285213 -1.223758
C -5.242003 0.803720 -1.976807
C -4.335773 -1.496733 1.025070
H 3.442226 2.274112 0.141782
H 4.406716 -0.408355 1.318471
H 5.434063 0.825193 0.555345
H 3.165422 -0.775905 -0.856879
H 4.112086 0.497669 -1.640396
H 1.444710 2.088613 -0.586687
H -0.458702 -0.430485 1.461993
H -0.461014 2.455626 -1.813168
H -2.849466 1.957446 -2.259340
H 3.250348 2.897906 2.468900
H 3.831806 1.382901 2.956406
H -6.084912 -1.096096 -0.178693
H -4.785003 0.618396 -2.967103
H -5.277849 1.900169 -1.833715
H -6.277653 0.429171 -2.003859
H 5.620216 -2.500409 -2.717430


