%chk=000057332.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057332

0 1
 O    3.557700       2.877700      1.0500000E-02
 N   -3.497600       1.022800     -3.0000001E-04
 C  -0.1605000     -0.4026000      1.9999999E-04
 C   -1.301300      0.5023000     -2.6000000E-03
 C   -2.602100     -2.3200000E-02  2.0999999E-03
 C  -0.4892000      -1.797600      1.7000000E-03
 C    1.253100     -2.8899999E-02  3.9999999E-04
 C    2.238100      -1.056800     -4.0000002E-03
 C   -1.488200       1.925900     -1.2000000E-02
 C   -2.884100      -1.384500      7.3000002E-03
 C   -1.808000      -2.257800      5.5999998E-03
 C   0.5194000      -2.760200     -8.9999998E-04
 C   -2.833800       2.209000     -9.1000004E-03
 C    1.858600      -2.397200     -4.9000001E-03
 C    1.767100       1.293200      6.3999998E-03
 C    3.611900     -0.7581000     -6.3000000E-03
 C   -4.940000      0.8981000      4.3000001E-03
 C    3.136900       1.582700      4.1999999E-03
 C    4.061700      0.5551000     -2.4999999E-03
 H  -0.7464000       2.706900     -2.1500001E-02
 H   -3.900900      -1.762900      1.0700000E-02
 H   -2.022900      -3.325900      7.6000001E-03
 H   0.2785000      -3.822300     -5.0000002E-04
 H   -3.355500       3.156700     -1.3800000E-02
 H    2.606100      -3.188800     -7.6000001E-03
 H    1.103100       2.144000      1.5600000E-02
 H    4.352800      -1.556200     -1.0200000E-02
 H   -5.394800       1.892100      2.4999999E-03
 H   -5.242500      0.3527000     -0.8932000    
 H   -5.237300      0.3584000      0.9070000    
 H    5.127100      0.7650000     -3.8000001E-03
 H    2.782400       3.464800      1.4800000E-02


%chk=000057332-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057332

0 1
O 3.577673 2.929423 0.009617
N -3.521593 1.045364 -0.000059
C -0.157230 -0.426868 -0.000010
C -1.273904 0.500252 -0.001803
C -2.618836 -0.024785 0.003130
C -0.488462 -1.838062 0.001897
C 1.261733 -0.054305 -0.000068
C 2.273503 -1.096283 -0.004335
C -1.429682 1.946264 -0.008985
C -2.926236 -1.408811 0.007767
C -1.852542 -2.294866 0.006131
C 0.553949 -2.836914 -0.000830
C -2.794017 2.236520 -0.008006
C 1.888174 -2.483021 -0.005234
C 1.727447 1.298228 0.005111
C 3.659801 -0.743379 -0.006193
C -4.980445 0.918144 0.002996
C 3.097162 1.608226 0.003841
C 4.084111 0.585217 -0.002700
H -0.671111 2.720769 -0.017344
H -3.960304 -1.769246 0.011420
H -2.034652 -3.375825 0.008159
H 0.259918 -3.893220 0.000011
H -3.296509 3.202914 -0.012862
H 2.671556 -3.249914 -0.008451
H 1.016214 2.124267 0.013190
H 4.404136 -1.548409 -0.009986
H -5.431352 1.923491 0.000959
H -5.332546 0.374652 -0.893272
H -5.329026 0.379935 0.903784
H 5.143324 0.858191 -0.003922
H 2.829146 3.576451 0.013747


