%chk=000011051.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011051

0 1
 O    3.675900      -1.208100       2.282300    
 N    2.293800       1.089600      -1.183700    
 N   -3.232200       1.220600       1.215300    
 C   0.8393000      0.9869000     -0.9667000    
 C   0.4423000     -0.5489000      -1.074600    
 C   0.3275000       1.723700      0.3320000    
 C   -1.018000     -0.7577000     -0.7242000    
 C   -1.099700       1.388300      0.5988000    
 C   -1.648400      0.2020000      7.4199997E-02
 C    1.354900      -1.418800     -0.2453000    
 C    3.074000      0.3863000     -0.1545000    
 C    2.552200     -0.9904000      0.1905000    
 C   -2.973000      0.1008000      0.4551000    
 C   -2.101700       2.007500       1.308700    
 C   -1.793400      -1.853900      -1.121500    
 C    2.760000       2.461300      -1.358500    
 C    3.443600      -1.846000       1.040300    
 C   -3.759500     -0.9835000      6.4599998E-02
 C   -3.137400      -1.959600     -0.7328000    
 H   0.3372000       1.475900      -1.816200    
 H   0.5695000     -0.8508000      -2.124400    
 H   0.4323000       2.808000      0.2112000    
 H   0.9148000       1.429400       1.208900    
 H    1.024900      -2.426600     -5.7000001E-03
 H    3.127600      0.9809000      0.7664000    
 H    4.100400      0.2776000     -0.5275000    
 H   -2.124100       2.929300       1.872800    
 H   -1.355900      -2.634800      -1.738300    
 H    3.811300       2.467900      -1.667600    
 H    2.674400       3.056900     -0.4435000    
 H    2.198000       2.963800      -2.153300    
 H   -4.121400       1.437100       1.643800    
 H    4.404100      -2.002700      0.5379000    
 H    2.999600      -2.827700       1.236800    
 H   -4.799100      -1.073600      0.3585000    
 H   -3.715800      -2.821700      -1.057600    
 H    4.269700      -1.783300       2.794200    


%chk=000011051-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000011051

0 1
O 3.853580 -1.042941 2.291254
N 2.281915 1.081378 -1.158712
N -3.322365 1.215528 1.236013
C 0.824451 0.972949 -0.905470
C 0.431749 -0.539866 -1.041145
C 0.359864 1.626040 0.453947
C -1.047611 -0.774661 -0.743205
C -1.106591 1.351919 0.677001
C -1.682837 0.174520 0.085031
C 1.343473 -1.383235 -0.154801
C 3.131567 0.384154 -0.169033
C 2.576796 -0.968031 0.235240
C -3.063688 0.093642 0.436358
C -2.135684 1.977948 1.376768
C -1.839214 -1.839679 -1.215769
C 2.763673 2.438172 -1.458875
C 3.474005 -1.828368 1.090089
C -3.859406 -0.979063 -0.030472
C -3.220816 -1.934658 -0.855234
H 0.310610 1.518234 -1.722523
H 0.631205 -0.818089 -2.097153
H 0.577960 2.710362 0.431455
H 0.957647 1.190841 1.279761
H 0.961694 -2.361228 0.169228
H 3.294426 0.982422 0.762787
H 4.140358 0.246945 -0.614063
H -2.134476 2.892422 1.967684
H -1.405691 -2.602603 -1.874069
H 3.799812 2.384859 -1.843317
H 2.769852 3.129405 -0.578903
H 2.132604 2.890493 -2.245074
H -4.221288 1.458759 1.645335
H 4.393076 -2.103452 0.524106
H 2.942767 -2.758618 1.379622
H -4.921403 -1.077480 0.220226
H -3.809217 -2.775994 -1.239704
H 4.564903 -1.527327 2.782016


