%chk=000022437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022437

0 1
 O   -2.005900       1.252400       1.397800    
 O   -3.422600     -0.3779000      0.9666000    
 N   -2.371900      0.2456000      0.7822000    
 C    1.879300      -1.569800     -7.6300003E-02
 C    2.293700     -9.5600002E-02 -1.5900001E-02
 C   0.4728000      -1.770600     -0.6510000    
 C    3.721200      0.1088000      0.4976000    
 C  -0.5998000      -1.138800      0.1929000    
 C   -1.498300     -0.2438000     -0.2376000    
 C    4.166200       1.563100      0.4876000    
 C   -1.715700      0.3710000      -1.580200    
 C  -0.9188000       1.655500      -1.763600    
 H    1.936100      -2.006400      0.9288000    
 H    2.593100      -2.120900     -0.7008000    
 H    1.606200      0.4645000      0.6288000    
 H    2.215200      0.3372000      -1.020600    
 H   0.4514000      -1.395400      -1.679700    
 H   0.2690000      -2.846700     -0.7071000    
 H    4.416000     -0.4747000     -0.1181000    
 H    3.798200     -0.2808000       1.519600    
 H  -0.6099000      -1.459500       1.234400    
 H    4.140100       1.972300     -0.5274000    
 H    5.189800       1.650600      0.8646000    
 H    3.515400       2.174200       1.121000    
 H   -1.431200     -0.3376000      -2.366800    
 H   -2.781400      0.5749000      -1.744000    
 H   0.1548000       1.480500      -1.647900    
 H   -1.085400       2.058700      -2.767800    
 H   -1.220100       2.422500      -1.042900    


%chk=000022437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022437

0 1
O -2.321400 -0.085678 2.048609
O -3.390381 1.076679 0.408556
N -2.461311 0.271895 0.814439
C 1.933753 -1.568301 -0.020286
C 2.406827 -0.097915 -0.059950
C 0.510591 -1.780430 -0.615497
C 3.831846 0.089853 0.507525
C -0.560364 -1.122728 0.214895
C -1.513186 -0.251304 -0.221821
C 4.308467 1.557574 0.457809
C -1.736219 0.282219 -1.618167
C -1.191073 1.722263 -1.815203
H 1.950408 -1.934360 1.026628
H 2.646920 -2.199782 -0.586645
H 1.698414 0.536503 0.511067
H 2.379763 0.268414 -1.108281
H 0.490907 -1.426984 -1.662342
H 0.304415 -2.871752 -0.637845
H 4.538505 -0.549620 -0.060212
H 3.856949 -0.272988 1.555275
H -0.570813 -1.370966 1.286283
H 4.323097 1.935258 -0.582147
H 5.328147 1.665972 0.870394
H 3.636047 2.212807 1.042896
H -1.249611 -0.402424 -2.334843
H -2.818278 0.276089 -1.839011
H -0.106690 1.770576 -1.607775
H -1.358811 2.053927 -2.855351
H -1.709419 2.428503 -1.144802


