%chk=000095936.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095936

0 1
 O   0.4969000       1.633200     -4.4199999E-02
 O   -3.166300      -2.256700      2.8999999E-02
 N    2.465500     -7.7299997E-02 -3.8999999E-03
 C    3.431700     -7.2700001E-02  -1.108400    
 C    2.954100      0.4126000       1.293000    
 C    4.066200       1.308800      -1.261300    
 C    3.581800       1.796500       1.141500    
 C    4.650000       1.807700      5.4600000E-02
 C    1.442500      -1.033200      1.1600000E-02
 C   8.2800001E-02 -0.6998000      2.4000001E-03
 C  -0.8820000      -1.709300      2.0099999E-02
 C    1.831700      -2.372700      3.8100000E-02
 C  -0.3200000      0.7211000     -2.6000001E-02
 C   -1.758000       1.058900     -3.4800000E-02
 C   -2.320000      -1.371500      1.1500000E-02
 C   -2.722800      4.9500000E-02 -1.6600000E-02
 C  -0.4870000      -3.052200      4.6399999E-02
 C   0.8690000      -3.380000      5.5300001E-02
 C   -2.152900       2.401800     -6.1500002E-02
 C   -4.082400      0.3830000     -2.5300000E-02
 C   -3.509100       2.729600     -6.9700003E-02
 C   -4.471700       1.722400     -5.1600002E-02
 H    2.935900     -0.3356000      -2.050900    
 H    4.212300     -0.8209000     -0.9240000    
 H    3.691000     -0.2938000       1.695200    
 H    2.135000      0.4774000       2.020000    
 H    3.306900       2.020000      -1.610900    
 H    4.849000       1.273200      -2.027000    
 H    4.021900       2.106400       2.096000    
 H    2.807600       2.532500      0.8946000    
 H    5.490900       1.170300      0.3533000    
 H    5.041700       2.823000     -7.2400004E-02
 H    2.881600      -2.654900      5.4200001E-02
 H   -1.218000      -3.856100      6.0899999E-02
 H    1.174500      -4.422200      7.7799998E-02
 H   -1.423800       3.207500     -7.5999998E-02
 H   -4.852300     -0.3837000     -1.1800000E-02
 H   -3.814900       3.771700     -9.0300001E-02
 H   -5.526800       1.980300     -5.8100000E-02


%chk=000095936-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095936

0 1
O 0.442195 1.762157 -0.280937
O -3.211417 -2.337450 0.230091
N 2.562137 -0.132963 -0.025302
C 3.881638 -0.420119 -0.636235
C 2.641823 0.799004 1.129614
C 4.592906 0.890471 -1.047005
C 3.326114 2.127056 0.756047
C 4.720029 1.867323 0.142743
C 1.494141 -1.020782 -0.186278
C 0.095826 -0.637208 -0.050885
C -0.902366 -1.677973 -0.067373
C 1.786215 -2.391513 -0.499980
C -0.354199 0.776952 -0.095707
C -1.823862 1.065219 0.037343
C -2.363468 -1.391942 0.126818
C -2.788351 0.031243 0.181606
C -0.561129 -3.023365 -0.308219
C 0.784195 -3.368478 -0.559852
C -2.250324 2.417236 0.053059
C -4.159623 0.351516 0.346115
C -3.614319 2.732142 0.213063
C -4.573391 1.696954 0.363596
H 3.735351 -1.043280 -1.534234
H 4.529848 -0.985239 0.074772
H 3.234476 0.290435 1.927691
H 1.636269 0.983289 1.526653
H 4.008416 1.369943 -1.855232
H 5.589129 0.635938 -1.457570
H 3.411113 2.754961 1.663595
H 2.677399 2.653260 0.035295
H 5.393722 1.432144 0.910775
H 5.181031 2.816249 -0.189202
H 2.827742 -2.700042 -0.622840
H -1.361697 -3.768401 -0.307464
H 1.057079 -4.409136 -0.765779
H -1.491181 3.196960 -0.061038
H -4.872600 -0.472435 0.450498
H -3.935669 3.779448 0.223044
H -5.632699 1.945227 0.489515


