%chk=000112614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112614

1 1
 O   -1.686200       4.908200      0.4143000    
 N   -2.007100      0.1010000     -2.6500000E-02
 N    2.522100      0.3083000     -0.8571000    
 C   -1.241600     -0.3639000      -1.016400    
 C   -1.463100       1.186000      0.8118000    
 C   -3.238700     -0.3804000      0.2269000    
 C    1.230700     -0.2248000     -0.6570000    
 C   9.2600003E-02  0.2035000      -1.238300    
 C   -3.747500      -1.419800     -0.5829000    
 C   -1.841800       2.529100      0.2044000    
 C    3.650400     -0.2136000     -0.1450000    
 C   -1.681700      -1.378200      -1.842900    
 C    2.809800       1.411200      -1.781000    
 C    3.468700      -1.297500      0.7477000    
 C   -2.947400      -1.911100      -1.623200    
 C    1.094600      -1.350200      0.2676000    
 C   -4.003800      0.1393000       1.275800    
 C    2.134000      -1.866000      0.9321000    
 C   -5.031500      -1.920200     -0.3154000    
 C   -1.314300       3.687000       1.037700    
 C    4.957400      0.2960000     -0.2782000    
 C    4.548700      -1.838100       1.462000    
 C    2.905400       2.719200      -1.019400    
 C   -5.277200     -0.3701000       1.526700    
 C   -5.789700      -1.396600      0.7340000    
 C    6.030200     -0.2465000      0.4370000    
 C    5.826700      -1.312000       1.305200    
 H   -1.782400       1.076100       1.850600    
 H  -0.3786000       1.106400      0.9072000    
 H   8.9599997E-02   1.041000      -1.928500    
 H   -2.930500       2.621900      0.1100000    
 H   -1.461100       2.620600     -0.8198000    
 H   -1.068300      -1.764500      -2.651300    
 H    2.027000       1.508000      -2.540900    
 H    3.710100       1.225100      -2.378300    
 H   -3.304800      -2.710800      -2.267700    
 H   0.1312000      -1.813000      0.4541000    
 H   -3.697800      0.9566000       1.916800    
 H    2.001700      -2.699900       1.612600    
 H   -5.451100      -2.720100     -0.9213000    
 H  -0.2225000       3.651600       1.108700    
 H   -1.738500       3.667000       2.046700    
 H    5.200300       1.123100     -0.9375000    
 H    4.402700      -2.671200       2.145700    
 H    1.956200       2.946200     -0.5211000    
 H    3.682200       2.720400     -0.2505000    
 H    3.120800       3.539900      -1.711200    
 H   -5.875800      3.7799999E-02   2.336300    
 H   -6.783000      -1.789200      0.9320000    
 H    7.027000      0.1672000      0.3116000    
 H    6.661000      -1.731600       1.859100    
 H   -1.336300       5.628200      0.9663000    


%chk=000112614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112614

1 1
O -1.587211 5.156498 -0.219985
N -2.195271 0.312813 0.385570
N 2.639266 0.133067 -0.427800
C -1.068937 -0.411899 -0.036771
C -1.995406 1.624310 1.068955
C -3.518240 -0.168177 0.211234
C 1.473778 -0.500214 0.031084
C 0.224006 0.193385 -0.001418
C -3.718194 -1.499445 -0.297611
C -2.008997 2.828925 0.101735
C 3.927041 -0.440304 -0.269432
C -1.295296 -1.736926 -0.569017
C 2.522724 1.443578 -1.140513
C 4.042221 -1.767323 0.277392
C -2.564376 -2.267939 -0.680863
C 1.614536 -1.822774 0.596413
C -4.656674 0.622518 0.536377
C 2.844946 -2.439543 0.704542
C -5.041166 -2.009723 -0.441209
C -1.756500 4.153649 0.835163
C 5.112453 0.252149 -0.648085
C 5.327661 -2.368896 0.409527
C 2.679666 2.668228 -0.215935
C -5.949109 0.092039 0.386993
C -6.151217 -1.229427 -0.096464
C 6.365606 -0.367676 -0.509314
C 6.482952 -1.683781 0.015533
H -2.776111 1.729393 1.840895
H -1.032515 1.568601 1.606724
H 0.262871 1.282473 -0.009489
H -2.971877 2.892037 -0.435954
H -1.227421 2.717283 -0.672797
H -0.432472 -2.285087 -0.950459
H 1.542048 1.453547 -1.644349
H 3.280648 1.460110 -1.940095
H -2.709466 -3.266554 -1.106535
H 0.721583 -2.297217 1.006475
H -4.554604 1.650632 0.888604
H 2.926618 -3.433453 1.157344
H -5.173221 -3.025324 -0.830102
H -0.840686 4.080518 1.464344
H -2.612404 4.400796 1.499614
H 5.077986 1.271083 -1.037971
H 5.393967 -3.379392 0.827386
H 1.910458 2.689308 0.576022
H 3.666015 2.681581 0.278180
H 2.579876 3.593555 -0.809685
H -6.813033 0.714460 0.641160
H -7.165112 -1.624775 -0.205242
H 7.265753 0.179617 -0.806948
H 7.467713 -2.149044 0.115006
H -1.558075 6.065337 0.171273


