%chk=000030713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030713

0 1
 O    4.437300      -1.925400      6.0000003E-04
 N    1.063400      0.6760000     -1.1000000E-03
 N    1.724800       1.852500      8.9999998E-04
 N  -0.9537000     -0.5314000     -1.8000000E-03
 N   -2.355700       1.867400     -6.9999998E-04
 C    1.900900     -0.4096000     -1.4000000E-03
 C    3.179700      9.1600001E-02  5.0000002E-04
 C  -0.3198000      0.6551000     -2.7000001E-03
 C    3.010000       1.489100      1.7000000E-03
 C    1.407100      -1.802200     -3.8999999E-03
 C   -2.298300     -0.5230000     -3.9999999E-04
 C   -3.008200      0.6916000      1.9999999E-04
 C    4.390700     -0.6719000      8.9999998E-04
 C   -1.010900       1.837400     -2.0999999E-03
 C   -3.007100      -1.722100      3.0000001E-04
 C   -4.400900      0.6623000      1.7000000E-03
 C    5.742100      4.6200000E-02  2.9000000E-03
 C   -4.400700      -1.740400      1.8000000E-03
 C   -5.100600     -0.5430000      2.6000000E-03
 H    3.763600       2.263800      3.4000000E-03
 H   0.8165000      -2.014900     -0.9012000    
 H    2.213400      -2.537800     -5.7000001E-03
 H   0.8171000      -2.018200      0.8930000    
 H  -0.5506000       2.818300     -2.2000000E-03
 H   -2.470300      -2.668700     -1.9999999E-04
 H   -4.962700       1.594300      2.2000000E-03
 H    5.830800      0.6662000     -0.8931000    
 H    6.552100     -0.6891000      1.9000000E-03
 H    5.829900      0.6627000      0.9015000    
 H   -4.933700      -2.686300      2.4000001E-03
 H   -6.186300     -0.5434000      3.7000000E-03


%chk=000030713-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030713

0 1
O 4.649456 -1.937497 -0.001703
N 1.063077 0.527532 0.000875
N 1.728628 1.781870 0.002228
N -1.023948 -0.610218 0.000600
N -2.374393 1.926117 0.000718
C 1.952855 -0.552163 -0.000285
C 3.247846 0.028735 0.000436
C -0.362114 0.555532 0.000772
C 3.035421 1.453215 0.002035
C 1.570854 -1.999488 -0.001998
C -2.411550 -0.544161 0.000418
C -3.095296 0.732210 0.000480
C 4.551445 -0.670997 -0.000351
C -1.037176 1.838261 0.000862
C -3.174183 -1.751074 0.000197
C -4.521020 0.769924 0.000297
C 5.805178 0.202437 0.000487
C -4.571460 -1.687623 0.000024
C -5.247687 -0.425236 0.000069
H 3.779122 2.248617 0.003012
H 0.952495 -2.248021 -0.881868
H 2.492930 -2.598787 -0.003475
H 0.953996 -2.250438 0.878258
H -0.452837 2.759775 0.001061
H -2.637365 -2.704669 0.000168
H -5.009530 1.749135 0.000342
H 5.830629 0.857973 -0.890086
H 6.694586 -0.445422 -0.001085
H 5.831529 0.854724 0.893431
H -5.159075 -2.611977 -0.000151
H -6.342516 -0.401185 -0.000071


