%chk=000043702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043702

0 1
 O    4.061100       1.531500     -0.5073000    
 O    3.433700      -1.730100      0.4171000    
 O    5.675400     -8.5000001E-02 -0.1382000    
 N   -1.398900     -0.3143000      3.0000001E-04
 N  -0.2808000      0.4575000     -6.0100000E-02
 C  -0.9636000      -1.736500      0.1038000    
 C   0.5564000      -1.611900      0.5020000    
 C   0.9017000     -0.2005000      0.1129000    
 C   -1.067900      -2.438500      -1.258100    
 C   -1.679300      -2.519900       1.208300    
 C    2.144000      0.2593000     -6.2399998E-02
 C   -2.696000      0.1994000     -2.8999999E-02
 C    2.615300       1.617300     -0.4441000    
 C    3.339700     -0.5649000      0.1049000    
 C    2.247700       2.699700      0.5600000    
 C   -3.765100     -0.5464000     -0.5715000    
 C   -2.985900       1.482700      0.4832000    
 C    4.527900      0.3011000     -0.1889000    
 C   -5.061900     -3.3399999E-02 -0.6002000    
 C   -4.282600       1.995700      0.4546000    
 C   -5.320700       1.237500     -8.7200001E-02
 H    1.151600      -2.371700     -1.1900000E-02
 H   0.6918000      -1.726200       1.584600    
 H  -0.3036000       1.390900     -0.4515000    
 H  -0.6556000      -1.819400      -2.062800    
 H  -0.5123000      -3.383800      -1.248400    
 H   -2.091600      -2.696800      -1.532400    
 H   -1.648200      -1.980800       2.162000    
 H   -2.732700      -2.693200      0.9683000    
 H   -1.213700      -3.500700       1.357000    
 H    2.263200       1.886300      -1.445900    
 H    2.621000       2.454800       1.561200    
 H    2.715300       3.649700      0.2786000    
 H    1.166800       2.855000      0.6210000    
 H   -3.625600      -1.537000     -0.9816000    
 H   -2.198200       2.093200      0.9197000    
 H   -5.870900     -0.6233000      -1.021300    
 H   -4.484800       2.984400      0.8559000    
 H   -6.330500       1.636700     -0.1089000    


%chk=000043702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043702

0 1
O 4.002002 1.613923 -0.326119
O 3.184735 -1.428076 1.439273
O 5.570436 0.340533 0.837445
N -1.465809 -0.543772 -0.751092
N -0.280029 0.270755 -0.727216
C -0.979333 -1.916385 -0.217956
C 0.271326 -1.526384 0.637475
C 0.768587 -0.246074 -0.009037
C -0.557320 -2.756779 -1.443887
C -2.042544 -2.641390 0.619400
C 2.051186 0.281490 0.061383
C -2.627142 0.118679 -0.188486
C 2.525083 1.566046 -0.600546
C 3.153108 -0.363633 0.745188
C 1.911742 2.865639 -0.054590
C -3.908412 -0.329924 -0.602706
C -2.525402 1.222930 0.698481
C 4.400358 0.505211 0.470658
C -5.071322 0.294061 -0.105937
C -3.695490 1.854737 1.174464
C -4.972514 1.390637 0.783777
H 1.056076 -2.299181 0.637534
H 0.013097 -1.339054 1.697452
H -0.234204 1.039376 -1.396702
H 0.211337 -2.233556 -2.040111
H -0.137583 -3.726023 -1.118972
H -1.426904 -2.947661 -2.095823
H -2.390401 -2.025649 1.466604
H -2.920268 -2.929121 0.016200
H -1.595766 -3.565739 1.026440
H 2.435119 1.530380 -1.705683
H 2.037150 2.917709 1.040093
H 2.410131 3.738426 -0.509262
H 0.830738 2.925428 -0.284518
H -3.979877 -1.144981 -1.330344
H -1.539560 1.579099 1.016049
H -6.055117 -0.061898 -0.431013
H -3.608170 2.705998 1.858928
H -5.876847 1.882625 1.156855


