%chk=000011596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011596

0 1
 O  -0.8825000      0.5243000      5.5999998E-03
 O   -2.359000      -1.241900     -8.3999997E-03
 N   -3.102200      0.9340000     -6.8999999E-03
 C    1.509300      0.4119000      1.9900000E-02
 C    2.730400     -0.5032000      8.6000003E-03
 C   0.2112000     -0.3828000      9.7000003E-03
 C    4.024200      0.2945000     -2.4700001E-02
 C   -2.131400     -3.6800001E-02 -3.5999999E-03
 H    1.530900       1.064200      0.9019000    
 H    1.529400       1.082300     -0.8487000    
 H    2.694300      -1.162700     -0.8664000    
 H    2.723800      -1.143700      0.8981000    
 H   0.1644000      -1.013500     -0.8860000    
 H   0.1545000      -1.019600      0.9003000    
 H    4.076600      0.9201000     -0.9215000    
 H    4.107400      0.9437000      0.8527000    
 H    4.885600     -0.3806000     -3.0800000E-02
 H   -2.863500       1.919900     -2.6000000E-03
 H   -4.088100      0.6952000     -1.3600000E-02


%chk=000011596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000011596

0 1
O -0.912577 0.553438 0.000120
O -2.417892 -1.264947 0.010328
N -3.149388 0.968912 0.003815
C 1.508802 0.406776 -0.003382
C 2.760967 -0.502930 -0.000861
C 0.216497 -0.411768 0.000742
C 4.076343 0.305827 -0.008224
C -2.194795 -0.027044 0.005370
H 1.524069 1.068433 0.884453
H 1.522744 1.061913 -0.896036
H 2.733282 -1.172633 -0.884736
H 2.736875 -1.162372 0.890793
H 0.133952 -1.060670 -0.892016
H 0.136789 -1.056289 0.896927
H 4.140713 0.949108 -0.906181
H 4.142680 0.961971 0.880245
H 4.958538 -0.360258 -0.004317
H -2.873219 1.947313 -0.000444
H -4.129082 0.700521 0.007006


