%chk=000115838.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115838

0 1
 O   0.4197000      -1.859900      -1.727300    
 O  -0.4216000      -1.856100       1.732700    
 O    3.325900     -0.1604000      9.4499998E-02
 O   -3.325100     -0.1602000     -9.7400002E-02
 O   7.9999998E-04   2.027100      6.3000000E-03
 N    1.053000     -4.1999999E-02 -0.3998000    
 N   -1.053500     -4.2800002E-02  0.4035000    
 C   0.6552000      -1.438100     -0.3917000    
 C  -0.6561000      -1.440300      0.3949000    
 C   3.0000001E-04  0.8027000      3.8999999E-03
 C    2.370000      0.4250000     -0.7766000    
 C   -2.371600      0.4240000      0.7772000    
 C    4.642600      0.2850000     -0.2015000    
 C   -4.642700      0.2850000      0.1955000    
 C    4.706800       1.796600     -4.5600001E-02
 C    5.628600     -0.4218000      0.7162000    
 C   -4.706100       1.796900      4.1299999E-02
 C   -5.626100     -0.4205000     -0.7259000    
 H    1.436700      -2.056400      6.1299998E-02
 H   -1.434700      -2.063700     -5.4400001E-02
 H    2.356400       1.514400     -0.7112000    
 H    2.554800      0.1159000      -1.811000    
 H   -2.357600       1.513500      0.7131000    
 H   -2.559300      0.1135000       1.810600    
 H   0.1214000      -2.784700      -1.691400    
 H   0.1536000      -1.188800       2.144000    
 H    4.889900      1.1300000E-02  -1.235000    
 H   -4.892900      1.0100000E-02   1.228000    
 H    5.746700       2.137900      4.6000001E-03
 H    4.259600       2.316200     -0.8991000    
 H    4.190700       2.131100      0.8611000    
 H    6.659700     -0.1258000      0.5003000    
 H    5.545200      -1.507800      0.6009000    
 H    5.411600     -0.1997000       1.766900    
 H   -5.745700       2.138400     -1.1500000E-02
 H   -4.261200       2.315400      0.8967000    
 H   -4.187400       2.132400     -0.8635000    
 H   -6.657700     -0.1246000     -0.5125000    
 H   -5.543300      -1.506700     -0.6117000    
 H   -5.406000     -0.1971000      -1.775600    


%chk=000115838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115838

0 1
O 0.538330 -1.831920 -1.686984
O -0.630895 -1.998381 1.752528
O 3.276764 0.158351 0.243007
O -3.251613 0.196995 -0.225852
O -0.007685 2.195257 0.068528
N 1.008040 0.086945 -0.386170
N -1.033553 0.100837 0.576876
C 0.657820 -1.314076 -0.315225
C -0.706771 -1.315948 0.458791
C -0.013596 0.940202 0.076730
C 2.304171 0.555258 -0.796540
C -2.359031 0.577541 0.883194
C 4.689585 0.234902 -0.204472
C -4.693492 0.253777 0.120552
C 5.137162 1.694636 -0.419045
C 5.499178 -0.476980 0.885741
C -5.169907 1.706300 0.321778
C -5.413647 -0.450377 -1.035255
H 1.416192 -1.898168 0.243794
H -1.481884 -1.869216 -0.092336
H 2.241077 1.655032 -0.895064
H 2.591704 0.093169 -1.763942
H -2.294289 1.676427 0.995959
H -2.725587 0.112800 1.823720
H 0.569770 -2.822619 -1.661675
H -0.008450 -1.498475 2.343355
H 4.781034 -0.324030 -1.165236
H -4.847552 -0.320366 1.064371
H 6.208927 1.731697 -0.688457
H 4.569942 2.185524 -1.230083
H 4.988864 2.275883 0.508578
H 6.571135 -0.501915 0.619326
H 5.143788 -1.513413 1.017897
H 5.387911 0.052813 1.848436
H -6.258269 1.729692 0.515873
H -4.665878 2.192293 1.176661
H -4.963136 2.300974 -0.585858
H -6.502436 -0.485144 -0.850472
H -5.040530 -1.482234 -1.151615
H -5.232590 0.090957 -1.980612


