%chk=000153364.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153364

0 1
 O   0.8161000     -8.7700002E-02   2.167100    
 O   -2.809200       1.449900       2.856000    
 O   -3.056800     -0.1453000       1.261100    
 O    3.233400      0.5500000     -0.9232000    
 N  -0.5256000      0.4912000      0.3613000    
 N    2.560300      -1.242100      0.3927000    
 N   -1.922500      -3.058300     -6.1999999E-02
 N  -0.1066000       4.982000      -2.382400    
 N   -2.325100      -2.740400      -2.222700    
 N    5.638000      0.6211000      0.4006000    
 C   -1.294500       1.519100       1.015900    
 C    1.160100      -1.217700      5.0299998E-02
 C   -1.803300       2.575700      3.5100002E-02
 C   0.5159000      -2.604600      0.1643000    
 C  -0.6633000       3.282800     -0.7056000    
 C   0.4759000     -0.2353000      0.9951000    
 C  -0.7578000      -2.714600     -0.6403000    
 C   -1.205400       4.305900      -1.703100    
 C   -2.458300      0.8287000       1.699300    
 C    3.490100     -0.3494000     -0.1259000    
 C  -0.9975000      -2.520900      -1.952900    
 C    4.889800     -0.6276000      0.3825000    
 C   -2.853700      -3.062500      -1.063000    
 H  -0.6622000       1.979500       1.784400    
 H    1.089900     -0.8385000     -0.9767000    
 H   -2.473500       2.107600     -0.6982000    
 H   -2.405900       3.316500      0.5759000    
 H    1.208800      -3.366900     -0.2164000    
 H   0.3258000      -2.856000       1.215900    
 H  -4.8099998E-02   2.549000      -1.240600    
 H  -1.1700000E-02   3.779100      2.4700001E-02
 H  -0.7781000      0.2497000     -0.5927000    
 H    2.863400      -1.918900       1.087400    
 H   -1.820500       5.052000      -1.188800    
 H   -1.839200       3.814000      -2.448600    
 H   -2.089800      -3.270900      0.9131000    
 H  -0.3076000      -2.237700      -2.734300    
 H   0.4949000       5.434000      -1.694600    
 H   0.4784000       4.294200      -2.855800    
 H    5.364600      -1.344800     -0.2941000    
 H    4.862800      -1.057000       1.388800    
 H   -3.890900      -3.305600     -0.8815000    
 H   -3.576500       1.015400       3.285600    
 H    5.221100       1.260100       1.076700    
 H    6.585500      0.4412000      0.7307000    


%chk=000153364-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000153364

0 1
O 0.959773 0.458420 2.215993
O -2.821952 1.399243 2.978098
O -2.399240 -0.571340 1.845784
O 4.027586 -1.680153 -0.957283
N -0.367634 0.772235 0.340731
N 2.874269 -0.839301 0.871804
N -1.588765 -1.961793 -0.555449
N -1.750120 5.325206 -2.413389
N -1.684435 -2.287556 -2.796158
N 6.264110 -2.208047 0.545512
C -1.355855 1.566589 1.073951
C 1.606011 -0.712144 0.152182
C -2.260161 2.375159 0.101848
C 0.928610 -2.123493 -0.055790
C -1.482419 3.451669 -0.688168
C 0.718028 0.224621 0.987429
C -0.257613 -2.133571 -0.979127
C -2.411524 4.269171 -1.633805
C -2.211799 0.661813 1.975735
C 4.016333 -1.296801 0.256816
C -0.348672 -2.335771 -2.365299
C 5.288490 -1.284490 1.120748
C -2.404131 -2.058898 -1.675918
H -0.821212 2.260702 1.747048
H 1.799948 -0.291731 -0.853183
H -2.763541 1.676680 -0.599029
H -3.054991 2.859492 0.699081
H 1.717455 -2.760598 -0.490562
H 0.672646 -2.536002 0.937958
H -0.676771 2.987454 -1.290651
H -0.987303 4.145631 0.021574
H -0.570770 0.491299 -0.622029
H 2.857611 -0.540460 1.854490
H -3.219624 4.733362 -1.034684
H -2.908375 3.578378 -2.342782
H -1.889049 -1.698136 0.396053
H 0.462307 -2.529912 -3.064552
H -1.360048 6.093815 -1.861923
H -1.107218 4.995086 -3.137733
H 5.019091 -1.566045 2.160579
H 5.635418 -0.221841 1.159731
H -3.487606 -1.975477 -1.632296
H -3.381089 0.807928 3.551765
H 6.072694 -2.410982 -0.441733
H 7.242736 -2.013413 0.757731


