%chk=000158929.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158929

0 1
 O   0.6046000       3.204300     -1.7000000E-03
 O   -4.747800     -0.8580000      3.9999999E-04
 N   0.4640000      0.9270000       0.000000    
 N    3.000900      -1.702100      1.9999999E-04
 C    1.121400     -0.2780000       0.000000    
 C   0.2142000      -1.316400     -3.0000001E-04
 C  -0.9017000      0.6876000       0.000000    
 C   -1.078900     -0.7090000     -3.0000001E-04
 C    2.490000     -0.4569000      1.9999999E-04
 C    1.182900       2.130500     -3.0000001E-04
 C   -2.391300      -1.228800     -3.0000001E-04
 C   -1.997800       1.566000      5.0000002E-04
 C   0.7277000      -2.622900     -6.0000003E-04
 C    3.282800      0.7625000      8.9999998E-04
 C    2.675400       1.964400      7.9999998E-04
 C   -3.481800     -0.3548000      9.9999997E-05
 C   -3.285500       1.021700      6.9999998E-04
 C    2.120900      -2.737300     -1.9999999E-04
 H   -2.546500      -2.304700     -5.0000002E-04
 H   -1.866400       2.642600      8.9999998E-04
 H   8.9299999E-02  -3.498600     -7.9999998E-04
 H    4.363100      0.6773000      1.5000000E-03
 H    3.262100       2.877100      1.2000001E-03
 H   -4.141700       1.692300      1.2000001E-03
 H    2.582700      -3.720600     -3.0000001E-04
 H   -4.701600      -1.829500      9.9999997E-05


%chk=000158929-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158929

0 1
O 0.613221 3.290888 0.000533
O -4.855330 -0.783120 -0.000053
N 0.484906 0.938142 0.000365
N 3.076865 -1.720625 0.000011
C 1.139579 -0.291387 0.000183
C 0.211628 -1.369183 -0.000021
C -0.923043 0.677642 0.000273
C -1.119877 -0.747985 0.000011
C 2.536962 -0.455200 0.000178
C 1.207190 2.171887 0.000534
C -2.428473 -1.274612 -0.000127
C -2.001997 1.579778 0.000414
C 0.775895 -2.662592 -0.000218
C 3.320132 0.769360 0.000299
C 2.677641 1.993448 0.000413
C -3.513756 -0.366002 0.000017
C -3.304482 1.040085 0.000282
C 2.199159 -2.770655 -0.000162
H -2.599964 -2.358067 -0.000318
H -1.827664 2.657662 0.000613
H 0.165537 -3.571134 -0.000383
H 4.412460 0.695471 0.000253
H 3.239868 2.932157 0.000461
H -4.181995 1.692817 0.000388
H 2.663138 -3.763082 -0.000305
H -4.926600 -1.769994 -0.000244


