%chk=000094872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094872

0 1
 O   0.6295000       1.819700     -0.7339000    
 N    1.744800     -0.1129000     -8.2800001E-02
 C  -0.7164000     -4.3299999E-02 -0.1902000    
 C   -1.205600      0.1202000       1.250600    
 C   -1.728800      0.5162000      -1.192100    
 C   -2.593700     -0.4837000       1.446900    
 C   -3.115700     -8.8399999E-02 -0.9901000    
 C   -3.599200      7.9700001E-02  0.4471000    
 C   0.6058000      0.6433000     -0.3620000    
 C    3.091200      0.4303000     -0.2083000    
 C    1.670500      -1.504300      0.3555000    
 C    3.526700       1.054900       1.103400    
 C    1.691000      -2.431700     -0.8443000    
 H  -0.6474000      -1.108000     -0.4223000    
 H   -1.243700       1.188200       1.505500    
 H  -0.5109000     -0.3286000       1.967900    
 H   -1.390500      0.3229000      -2.217700    
 H   -1.810800       1.606600      -1.092700    
 H   -2.940400     -0.2861000       2.467600    
 H   -2.536300      -1.573300       1.334000    
 H   -3.089100      -1.155300      -1.243800    
 H   -3.827500      0.3845000      -1.676100    
 H   -4.565000     -0.4227000      0.5725000    
 H   -3.763100       1.144400      0.6549000    
 H    3.785500     -0.3558000     -0.5226000    
 H    3.087800       1.201800     -0.9862000    
 H    2.528700      -1.718800       1.003200    
 H   0.7871000      -1.701000      0.9629000    
 H    3.550100      0.3150000       1.910000    
 H    2.843700       1.855400       1.406700    
 H    4.529500       1.482200       1.005600    
 H    2.628900      -2.333600      -1.401300    
 H   0.8760000      -2.227400      -1.544800    
 H    1.605100      -3.472900     -0.5176000    


%chk=000094872-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094872

0 1
O 0.708944 1.843854 -0.559079
N 1.758812 -0.169307 -0.080665
C -0.762322 -0.067373 -0.138782
C -1.307505 0.161872 1.305072
C -1.751186 0.514175 -1.183026
C -2.726340 -0.429134 1.476710
C -3.170084 -0.074299 -1.008520
C -3.705759 0.146126 0.426636
C 0.615342 0.601633 -0.282678
C 3.080568 0.490434 -0.227402
C 1.764150 -1.598971 0.303356
C 3.598673 1.081032 1.101096
C 1.842787 -2.557483 -0.906672
H -0.687293 -1.159479 -0.312148
H -1.331722 1.253638 1.493486
H -0.616303 -0.277724 2.052269
H -1.375350 0.312506 -2.204964
H -1.770238 1.613696 -1.066916
H -3.095113 -0.223759 2.500646
H -2.681837 -1.533234 1.367061
H -3.150849 -1.163580 -1.224691
H -3.856560 0.384002 -1.746732
H -4.704798 -0.318040 0.540256
H -3.832554 1.233847 0.605055
H 3.793438 -0.255237 -0.628272
H 2.966466 1.298474 -0.969301
H 2.638152 -1.763795 0.962681
H 0.873270 -1.827058 0.912707
H 3.684046 0.305354 1.885062
H 2.910101 1.865939 1.456929
H 4.597505 1.533458 0.958474
H 2.736841 -2.346085 -1.520275
H 0.954606 -2.449431 -1.554533
H 1.899910 -3.608551 -0.567341


