%chk=000041221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041221

0 1
 O    3.463200     -0.6770000     -5.5300001E-02
 N   -2.892700      0.1583000     -0.3325000    
 C   -1.330400      -1.717100     -6.1400000E-02
 C   -2.677400      -1.119200      0.3579000    
 C   -1.903900       1.153700      0.1186000    
 C  -0.2028000     -0.7199000      1.2000001E-03
 C  -0.4780000      0.6578000      4.1999999E-02
 C    1.126400      -1.160400     -4.1700002E-02
 C   0.5828000       1.573000      7.7000000E-02
 C   -4.250900      0.6499000     -0.1030000    
 C    2.174400     -0.2406000     -1.7999999E-02
 C    1.903000       1.124300      4.3400001E-02
 C    4.486300      0.3171000     -2.8200001E-02
 H   -1.400000      -2.088000      -1.092000    
 H   -1.106900      -2.572400      0.5874000    
 H   -3.464500      -1.837000      9.6100003E-02
 H   -2.710500     -0.9845000       1.447700    
 H   -2.099400       1.453700       1.157000    
 H   -1.995800       2.044900     -0.5149000    
 H    1.344900      -2.224500     -9.4099998E-02
 H   0.3836000       2.640400      0.1309000    
 H   -4.987400     -6.3800000E-02 -0.4886000    
 H   -4.415000       1.590900     -0.6397000    
 H   -4.457700      0.8177000      0.9602000    
 H    2.668700       1.892200      6.9600001E-02
 H    5.447000     -0.2069000     -6.5499999E-02
 H    4.469200      0.8869000      0.9071000    
 H    4.441300      0.9652000     -0.9101000    


%chk=000041221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041221

0 1
O 3.492384 -0.708337 -0.046832
N -2.935097 0.144305 -0.276842
C -1.330826 -1.721363 -0.101110
C -2.663529 -1.141006 0.406602
C -1.954959 1.181763 0.111683
C -0.207070 -0.695935 -0.030081
C -0.513548 0.692230 0.039667
C 1.141783 -1.110998 -0.054429
C 0.547271 1.624022 0.080124
C -4.320646 0.614144 -0.104081
C 2.193035 -0.166483 -0.015379
C 1.899693 1.217939 0.051770
C 4.612621 0.232762 -0.013587
H -1.468445 -2.035175 -1.154364
H -1.062538 -2.625592 0.478498
H -3.490413 -1.838380 0.178481
H -2.627602 -1.017727 1.521046
H -2.155332 1.549290 1.156893
H -2.088217 2.054171 -0.557391
H 1.399614 -2.174645 -0.105827
H 0.317440 2.696039 0.132765
H -5.024139 -0.155975 -0.467285
H -4.479853 1.530763 -0.701078
H -4.581284 0.849565 0.960392
H 2.693931 1.969609 0.080193
H 5.516099 -0.394012 -0.047586
H 4.610218 0.832408 0.918022
H 4.596907 0.911317 -0.889162


