%chk=000094508.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094508

0 1
 O    4.137600      0.6982000      1.1000000E-03
 O    3.757400      -1.463900      1.9999999E-04
 N   -2.186400      0.6963000     -1.4000000E-03
 N    3.348700     -0.2775000      3.0000001E-04
 N   -3.064200     -0.3132000      6.0000003E-04
 N   -4.197400      0.2049000     -5.0000002E-04
 C  -0.7976000      0.4519000     -8.9999998E-04
 C    1.950100     -3.1399999E-02   0.000000    
 C   9.8800004E-02   1.520800      1.9999999E-04
 C  -0.3199000     -0.8587000     -1.3000000E-03
 C    1.472500       1.279200      5.0000002E-04
 C    1.053900      -1.100300     -7.9999998E-04
 C   -5.253500     -0.8063000      2.0000001E-03
 H  -0.2614000       2.546400      6.0000003E-04
 H  -0.9899000      -1.714300     -2.0999999E-03
 H    2.141000       2.136300      1.1000000E-03
 H    1.390200      -2.134000     -1.2000001E-03
 H   -2.519900       1.652400     -1.9000000E-03
 H   -5.193100      -1.439700     -0.8892000    
 H   -6.228400     -0.3103000      1.0000000E-03
 H   -5.192900      -1.435700      0.8962000    


%chk=000094508-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094508

0 1
O 4.219281 0.728171 -0.000669
O 3.817076 -1.520688 -0.000264
N -2.165231 0.746508 0.000182
N 3.417315 -0.289022 -0.000254
N -3.107880 -0.262060 0.000588
N -4.314367 0.225544 0.000558
C -0.795331 0.462611 0.000092
C 1.968919 -0.029854 -0.000129
C 0.125421 1.550441 -0.000118
C -0.313144 -0.878824 0.000203
C 1.506203 1.306537 -0.000239
C 1.067441 -1.121090 0.000096
C -5.344306 -0.849056 0.001046
H -0.245807 2.581798 -0.000174
H -1.028634 -1.703582 0.000374
H 2.231507 2.124070 -0.000405
H 1.465734 -2.139115 0.000173
H -2.514314 1.717644 -0.000067
H -5.256923 -1.493703 -0.893829
H -6.330667 -0.362119 0.001011
H -5.256691 -1.493113 0.896323


