%chk=000104600.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104600

0 1
 O    1.785500      0.3189000     -0.7718000    
 O   3.0300001E-02  -1.743100      -2.244200    
 O   0.7089000     -0.1679000       2.096000    
 O    1.383700       1.790200      0.9593000    
 O    2.853000      -3.958800      0.6257000    
 N    1.530700      -2.793700     -0.8525000    
 N    1.870700      -2.002900       1.333300    
 C   0.7739000     -0.5457000     -0.2854000    
 C  -0.5798000      0.1688000     -0.3423000    
 C   -1.702600     -0.7484000      0.1308000    
 C   0.7161000      -1.734200      -1.222900    
 C    1.088700     -0.8701000       1.160300    
 C   -3.036200     -4.6999998E-02  9.1200002E-02
 C    1.994500       1.467600     -5.0299998E-02
 C    2.148600      -2.978000      0.3804000    
 C    3.097000       2.274000     -0.6977000    
 C   -3.472800      0.6507000       1.207600    
 C   -3.806000     -0.1106000      -1.060800    
 C    3.361000       3.581200      4.5499999E-02
 C   -4.707200       1.299600       1.171300    
 C   -5.040200      0.5383000      -1.097400    
 C    4.492900       4.367900     -0.5952000    
 C   -5.490800       1.243300      1.8800000E-02
 H  -0.7780000      0.5110000      -1.368300    
 H  -0.6186000       1.086300      0.2526000    
 H   -1.530900      -1.102200       1.154400    
 H   -1.776500      -1.657500     -0.4769000    
 H    1.618800      -3.555200      -1.519600    
 H    2.209500      -2.182400       2.274400    
 H    2.802200       2.489100      -1.730800    
 H    4.005400       1.661300     -0.7053000    
 H   -2.868700      0.7025000       2.109000    
 H   -3.462800     -0.6552000      -1.935900    
 H    3.614100       3.372600       1.091900    
 H    2.452300       4.194800      5.6299999E-02
 H   -5.057700       1.849100       2.040100    
 H   -5.650100      0.4952000      -1.995000    
 H    4.663800       5.300100     -4.7899999E-02
 H    5.424400       3.793000     -0.5862000    
 H    4.255300       4.621900      -1.633100    
 H   -6.451600       1.748700     -9.7000003E-03


%chk=000104600-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104600

0 1
O 1.629819 0.367225 -0.645267
O 0.058366 -1.946711 -2.066412
O 0.302281 -0.735617 2.405306
O 1.697218 1.702512 1.276150
O 3.755973 -3.170581 0.492572
N 1.921752 -2.511938 -0.798046
N 2.166124 -1.729342 1.427444
C 0.572500 -0.565244 -0.067960
C -0.810414 0.083758 -0.158889
C -1.992789 -0.862579 0.204877
C 0.779011 -1.740709 -1.063108
C 0.964726 -0.984646 1.375663
C -3.318793 -0.124717 0.077895
C 2.052049 1.496614 0.100740
C 2.705995 -2.493749 0.376391
C 2.962054 2.356064 -0.756213
C -3.871083 0.565644 1.187376
C -4.004700 -0.076154 -1.163120
C 3.876190 3.280132 0.077717
C -5.080726 1.285605 1.061507
C -5.214536 0.642595 -1.293142
C 4.702443 4.224022 -0.819870
C -5.756396 1.327402 -0.180375
H -0.944007 0.441985 -1.195227
H -0.827087 0.955558 0.518838
H -1.861500 -1.223802 1.239785
H -1.981566 -1.733802 -0.474656
H 2.222643 -3.175810 -1.518863
H 2.601264 -1.865022 2.345658
H 2.310016 2.964432 -1.416841
H 3.546282 1.701187 -1.427812
H -3.351262 0.533313 2.153059
H -3.590425 -0.610719 -2.027340
H 4.552306 2.662822 0.699413
H 3.255140 3.864686 0.780855
H -5.496803 1.810016 1.929386
H -5.735354 0.665918 -2.257304
H 5.356464 4.873380 -0.210960
H 5.347227 3.657245 -1.517647
H 4.046175 4.879062 -1.423221
H -6.695780 1.883166 -0.278657


