%chk=000052902.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052902

0 1
 O   -3.116800      -2.255300      0.1203000    
 O   -3.364500     -3.6300000E-02  0.6440000    
 O    5.737700     -0.4944000     -0.2501000    
 N  -0.4259000      -2.038100     -6.2500000E-02
 N   -1.398400       3.741000     -0.1013000    
 C  -0.3477000      0.1270000      0.4209000    
 C  -0.7493000       1.507100      0.7681000    
 C   0.9826000     -0.3283000      0.2018000    
 C   0.9055000      -1.689700     -9.9500000E-02
 C   -1.191000     -0.9468000      0.2509000    
 C   -1.032100       2.377600     -0.4692000    
 C    2.248800      0.2891000      0.2310000    
 C    2.035800      -2.467700     -0.3740000    
 C    3.388200     -0.4765000     -4.1499998E-02
 C    3.281200      -1.833600     -0.3392000    
 C   -2.615700     -0.9923000      0.3635000    
 C   -2.629100       3.747300      0.6911000    
 C   -1.558900       4.571000      -1.296100    
 C    4.699400      0.1539000     -1.3400000E-02
 C    4.831100       1.637700      0.3109000    
 C   -4.536600      -2.424600      0.2034000    
 C   -5.144300      -2.168000      -1.159000    
 H   -1.608500       1.461200       1.443100    
 H   4.8799999E-02   1.978700       1.357600    
 H   -1.813900       1.910500      -1.084000    
 H  -0.1234000       2.399700      -1.085700    
 H  -0.7834000      -2.966500     -0.2418000    
 H    2.302900       1.347000      0.4637000    
 H    1.953000      -3.524200     -0.6059000    
 H    4.164200      -2.432200     -0.5516000    
 H   -2.469900       3.345700       1.696100    
 H   -3.442000       3.194200      0.2066000    
 H   -2.975100       4.776100      0.8491000    
 H   -1.781600       5.607500      -1.018700    
 H   -2.362000       4.207400      -1.947400    
 H  -0.6292000       4.596600      -1.875400    
 H    4.457100       1.840100       1.317800    
 H    4.304100       2.236900     -0.4362000    
 H    5.889200       1.917200      0.2817000    
 H   -4.721600      -3.461100      0.5035000    
 H   -4.978400      -1.781000      0.9719000    
 H   -6.223800      -2.342600      -1.142000    
 H   -4.962200      -1.137900      -1.482000    
 H   -4.693400      -2.821900      -1.912700    


%chk=000052902-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052902

0 1
O -3.094561 -2.413613 0.127990
O -3.480524 -0.168338 0.708750
O 5.775118 -0.504382 -0.310828
N -0.446473 -2.097768 -0.096423
N -1.383197 3.803907 -0.109938
C -0.393620 0.133578 0.471341
C -0.811528 1.533691 0.832732
C 0.955589 -0.328077 0.214255
C 0.886643 -1.728513 -0.135999
C -1.229954 -0.980700 0.267635
C -1.144800 2.378347 -0.430928
C 2.217451 0.315051 0.254178
C 2.046937 -2.482018 -0.443699
C 3.381163 -0.425875 -0.052038
C 3.278436 -1.818940 -0.397903
C -2.681976 -1.089264 0.397073
C -2.628216 4.027840 0.656229
C -1.326041 4.656785 -1.315586
C 4.749208 0.187226 -0.030320
C 4.895136 1.662628 0.335949
C -4.563998 -2.673767 0.194339
C -5.236568 -2.346118 -1.141865
H -1.699045 1.493889 1.486564
H -0.002247 2.051261 1.379693
H -2.020238 1.910804 -0.949886
H -0.285785 2.328357 -1.127160
H -0.849475 -3.015175 -0.280665
H 2.280469 1.375101 0.521693
H 1.987314 -3.543121 -0.707182
H 4.211317 -2.345266 -0.625172
H -2.597223 3.480132 1.612615
H -3.545501 3.701424 0.103867
H -2.726733 5.103665 0.886831
H -1.420897 5.718251 -1.023333
H -2.132233 4.432586 -2.060383
H -0.351113 4.527208 -1.819077
H 4.505326 1.862167 1.351514
H 4.334034 2.306048 -0.367088
H 5.960746 1.934828 0.299986
H -4.628912 -3.745938 0.440351
H -4.987635 -2.068599 1.014854
H -6.306548 -2.622117 -1.097119
H -5.169107 -1.267084 -1.359093
H -4.769836 -2.908600 -1.968955


