%chk=000017481.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017481

0 1
 O   -1.272800     -0.3344000     -0.7517000    
 O   -1.751000     -0.2497000       1.510700    
 N   -3.404800      0.3359000     -1.6200000E-02
 C    1.033700      0.1611000     -0.2325000    
 C    2.323400     -0.3228000      9.2100002E-02
 C  -1.1900000E-02 -0.7543000     -0.4360000    
 C    2.529500      -1.707500      0.2039000    
 C   0.8276000       1.545700     -0.3439000    
 C    3.369000      0.5923000      0.2958000    
 C   0.2109000      -2.126900     -0.3214000    
 C    1.479200      -2.602600     -1.8000000E-03
 C    1.878100       2.440600     -0.1384000    
 C    3.146500       1.964800      0.1808000    
 C   -2.123500     -9.2200004E-02  0.3486000    
 C   -4.398100      0.6269000       1.007800    
 C   -3.835600      0.5231000      -1.397800    
 H  -0.1488000       1.953400     -0.5954000    
 H    3.512700      -2.101700      0.4526000    
 H    4.368500      0.2428000      0.5463000    
 H  -0.6013000      -2.831200     -0.4809000    
 H    1.652000      -3.671200      8.7399997E-02
 H    1.705700       3.509200     -0.2286000    
 H    3.963800       2.661900      0.3405000    
 H   -4.705300       1.672400      0.9131000    
 H   -4.002600      0.4623000       2.013100    
 H   -5.263100     -2.4900001E-02  0.8545000    
 H   -4.135900       1.566400      -1.531700    
 H   -4.691600     -0.1307000      -1.588600    
 H   -3.045500      0.2886000      -2.113500    


%chk=000017481-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017481

0 1
O -1.282368 -0.017675 -0.162451
O -2.500664 -1.327513 1.401699
N -3.560870 0.219008 -0.010892
C 1.104091 0.261152 -0.109688
C 2.436373 -0.294286 0.019483
C -0.016203 -0.623591 0.070401
C 2.594320 -1.685439 0.329377
C 0.952278 1.654390 -0.409858
C 3.564778 0.572283 -0.164831
C 0.151783 -1.976192 0.371108
C 1.475066 -2.500154 0.503459
C 2.073329 2.470823 -0.579304
C 3.391239 1.926097 -0.459056
C -2.470740 -0.458787 0.494452
C -4.883867 -0.048397 0.575826
C -3.498391 1.236322 -1.071787
H -0.057036 2.066251 -0.497637
H 3.604984 -2.097465 0.429119
H 4.572136 0.149940 -0.068071
H -0.714383 -2.620843 0.525660
H 1.597298 -3.561459 0.744597
H 1.946695 3.535555 -0.804532
H 4.261756 2.576898 -0.596599
H -5.307216 0.876391 1.012747
H -4.778023 -0.805405 1.366632
H -5.580212 -0.424487 -0.197848
H -3.727382 2.241306 -0.665140
H -4.242315 1.001898 -1.856839
H -2.497657 1.250679 -1.521226


