%chk=000043008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043008

0 1
 O  -1.2100000E-02  -1.981500     -0.2722000    
 O    1.079100       1.792700      0.1633000    
 N   -4.165100      0.1012000      0.2646000    
 N  -0.4737000     -4.8200000E-02  0.9249000    
 N    5.176400      -1.797800     -0.2209000    
 N    5.712300      0.4442000     -0.2607000    
 N    6.097100     -0.8339000     -0.3004000    
 C   -2.722600      0.2569000      3.0999999E-02
 C   -2.562800       1.773800     -9.2399999E-02
 C   -3.928100       2.288000     -0.5357000    
 C   -4.800400       1.049400     -0.6539000    
 C   -1.863200     -0.3125000       1.152700    
 C   -4.642300      -1.258400      4.2500000E-02
 C   -6.122400      -1.363600      0.2464000    
 C   0.3546000     -0.9174000      0.2194000    
 C    1.778100     -0.5117000      9.2299998E-02
 C   -6.983500      -1.741000     -0.7055000    
 C    2.082600      0.8626000      7.0200004E-02
 C    2.709700      -1.546000      3.7000000E-03
 C    4.037200      -1.094200     -0.1150000    
 C    3.399900       1.342200     -4.7200002E-02
 C    4.379000      0.3355000     -0.1400000    
 C    1.470200       3.159700      0.1333000    
 H   -2.436900     -0.1983000     -0.9286000    
 H   -2.289900       2.244800      0.8598000    
 H   -1.789900       2.032300     -0.8246000    
 H   -3.869300       2.831900      -1.483900    
 H   -4.328000       2.973500      0.2207000    
 H   -5.834600       1.282800     -0.3805000    
 H   -4.783400      0.6878000      -1.690600    
 H   -2.003900      -1.394800       1.243200    
 H   -2.125100      0.1363000       2.117800    
 H   -4.363800      -1.616000     -0.9578000    
 H   -4.172500      -1.939800      0.7612000    
 H  -9.0400003E-02  0.7937000       1.342300    
 H   -6.511900      -1.125500       1.233400    
 H   -8.045300      -1.801200     -0.4929000    
 H   -6.649100      -1.992800      -1.705800    
 H    2.457000      -2.598100      2.8100001E-02
 H    3.712400       2.375500     -7.1599998E-02
 H    7.078500      -1.070100     -0.3904000    
 H    2.095100       3.424100      0.9934000    
 H    1.931800       3.431100     -0.8223000    
 H   0.5551000       3.755700      0.2179000    


%chk=000043008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043008

0 1
O -0.269105 -1.663460 0.241984
O 1.563522 2.130592 0.811781
N -4.230729 0.040103 -0.117996
N -0.587509 0.558221 0.827281
N 4.794194 -2.196646 -0.622452
N 5.861092 -0.110180 -0.329646
N 5.940135 -1.450987 -0.633683
C -2.820714 0.478061 -0.344772
C -2.935471 1.924157 -0.914843
C -4.414710 2.330938 -0.664625
C -5.153298 0.983810 -0.792795
C -2.037217 0.386281 0.995304
C -4.496610 -1.397141 -0.330134
C -5.769922 -1.844713 0.359721
C 0.208955 -0.496299 0.442900
C 1.700251 -0.240207 0.273361
C -6.764799 -2.554515 -0.228227
C 2.381858 1.039655 0.449122
C 2.448697 -1.369125 -0.086777
C 3.847358 -1.242222 -0.270835
C 3.763537 1.189043 0.271557
C 4.502378 0.032859 -0.092400
C 2.191293 3.441184 1.007195
H -2.302272 -0.184914 -1.072177
H -2.215438 2.616067 -0.441067
H -2.724160 1.923573 -1.999805
H -4.778804 3.086834 -1.381613
H -4.544457 2.729967 0.357894
H -6.145243 0.979782 -0.307117
H -5.304383 0.724733 -1.872130
H -2.220310 -0.607898 1.439335
H -2.414769 1.155059 1.693240
H -4.548295 -1.659344 -1.417357
H -3.639965 -1.960707 0.091911
H -0.137845 1.471089 0.956864
H -5.845066 -1.558439 1.419421
H -7.650697 -2.875366 0.331304
H -6.717448 -2.840451 -1.286880
H 1.916445 -2.316205 -0.214174
H 4.274230 2.144722 0.402381
H 6.836781 -1.877757 -0.862229
H 2.934818 3.403864 1.825013
H 2.671176 3.791402 0.074398
H 1.368416 4.117481 1.280970


