%chk=000178985.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178985

0 1
 O    2.868000      0.6617000      -1.092700    
 O   -2.457400      0.9214000      -1.215500    
 N   -1.286800     -0.2890000      1.2200000E-02
 N   -2.431000     -0.1554000     -0.6112000    
 C    1.610900      0.2809000     -0.5156000    
 C    1.677300      -1.230200     -0.2517000    
 C    1.399300       1.144800      0.7345000    
 C   0.6023000      -1.847900      0.6425000    
 C  -4.0899999E-02   1.634300      0.9424000    
 C  -0.8440000      -1.674300      0.1604000    
 C   -1.097600      0.5537000       1.194700    
 H   0.8552000      0.5091000      -1.274200    
 H    2.655900      -1.467100      0.1884000    
 H    1.677600      -1.748000      -1.220300    
 H    2.032000       2.039900      0.6633000    
 H    1.746500      0.6193000       1.632100    
 H   0.8016000      -2.926300      0.7020000    
 H   0.7182000      -1.484100       1.668900    
 H  -4.0500000E-02   2.308200       1.808900    
 H  -0.3376000       2.251800      8.4799998E-02
 H  -0.9281000      -2.193100     -0.8052000    
 H   -1.506100      -2.206500      0.8574000    
 H  -0.8336000     -2.7500000E-02   2.086200    
 H   -2.034100       1.060000       1.472200    
 H    2.983700      0.1452000      -1.908600    


%chk=000178985-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178985

0 1
O 2.852979 0.737311 -1.121783
O -2.486027 1.121323 -1.058285
N -1.321698 -0.386160 0.138003
N -2.025437 -0.084567 -1.015123
C 1.575205 0.267253 -0.524409
C 1.675371 -1.263898 -0.288841
C 1.385425 1.120382 0.751902
C 0.635748 -1.900159 0.661935
C -0.051148 1.657777 0.958117
C -0.842565 -1.778657 0.235917
C -1.152483 0.599533 1.231275
H 0.753435 0.487822 -1.236190
H 2.684639 -1.451233 0.129445
H 1.633567 -1.779228 -1.272078
H 2.062812 1.987061 0.642246
H 1.729760 0.565285 1.647424
H 0.854645 -2.982659 0.751590
H 0.761178 -1.483337 1.680465
H -0.055197 2.350547 1.822764
H -0.353236 2.250931 0.075323
H -1.011655 -2.226895 -0.759503
H -1.470748 -2.330116 0.966012
H -0.936772 0.035544 2.156460
H -2.120333 1.122796 1.350392
H 3.013336 0.244240 -1.967159


