%chk=000042380.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042380

0 1
 O   -2.965300      -1.598600       2.022000    
 O    2.933800      -1.641300     -0.2658000    
 O    5.625500      -1.737900     -0.9617000    
 N   -3.323000     -0.5053000      8.5000005E-03
 N    4.218300       1.641500     -0.4047000    
 C   -4.740300     -0.2817000      0.1882000    
 C   -5.000200       1.028300      0.9396000    
 C   -5.476800     -0.3068000      -1.155400    
 C   -4.706900       2.261200      8.4899999E-02
 C   -5.182600      0.9283000      -2.006800    
 C   -5.459400       2.218700      -1.241600    
 C   -2.546900      -1.154500      0.9560000    
 C   -1.102200      -1.281700      0.6338000    
 C    4.837500     -0.5894000      -1.287900    
 C    5.018400      0.4460000     -0.1754000    
 C    4.365100       2.585100      0.6951000    
 C  -0.1644000      -1.378500       1.661900    
 C  -0.6835000      -1.305100     -0.6966000    
 C    3.387500      -1.031200      -1.473200    
 C    1.610600      -1.522000      2.9300001E-02
 C    1.191900      -1.498700       1.359700    
 C   0.6728000      -1.425200     -0.9988000    
 C    3.997300       3.985500      0.2150000    
 C    3.492900       2.163200       1.874200    
 H   -5.124800      -1.106600      0.8012000    
 H   -4.400900       1.072400       1.856800    
 H   -6.053000       1.057700       1.248600    
 H   -6.557200     -0.3569000     -0.9689000    
 H   -5.209300      -1.208600      -1.719300    
 H   -4.988100       3.165000      0.6373000    
 H   -3.629300       2.330400     -0.1074000    
 H   -4.138600      0.9159000      -2.341200    
 H   -5.800500      0.9016000      -2.911800    
 H   -5.173900       3.080300      -1.855600    
 H   -6.536400       2.305300      -1.051700    
 H   -2.882500     -6.8999998E-02 -0.7940000    
 H    5.219000     -0.1902000      -2.234500    
 H    6.084000      0.7045000     -0.1158000    
 H    4.773100     -2.4900001E-02  0.7834000    
 H    5.411000       2.631900       1.025400    
 H    4.518100       2.071300      -1.279700    
 H    2.783700     -0.1623000      -1.761800    
 H    3.336600      -1.785600      -2.267300    
 H  -0.4701000      -1.357300       2.704600    
 H   -1.384100      -1.270100      -1.525900    
 H    1.918600      -1.571600       2.164300    
 H   0.9532000      -1.477200      -2.046800    
 H    4.108400       4.714100       1.025500    
 H    4.647000       4.305700     -0.6072000    
 H    2.959800       4.030800     -0.1354000    
 H    3.543500       2.910300       2.674100    
 H    3.811700       1.209900       2.306500    
 H    2.441600       2.066200       1.579400    
 H    5.259800      -2.127400     -0.1489000    


%chk=000042380-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042380

0 1
O -3.213776 -1.251446 2.121482
O 2.838462 -0.975023 -0.038234
O 5.203212 -2.136463 -0.910287
N -3.724134 -0.615279 -0.046245
N 5.554355 1.597259 -0.389537
C -5.186056 -0.631565 0.201647
C -5.646000 0.640996 0.966512
C -5.941546 -0.771585 -1.142405
C -5.537096 1.912641 0.095071
C -5.847570 0.505532 -2.016128
C -6.317718 1.756097 -1.233184
C -2.818480 -0.921554 0.953586
C -1.352128 -0.882415 0.602953
C 4.953199 -0.708028 -1.142462
C 5.604221 0.159829 -0.035898
C 5.380773 2.564964 0.731963
C -0.452934 -1.464507 1.537941
C -0.814054 -0.296183 -0.570117
C 3.450015 -0.435030 -1.276762
C 1.448287 -0.908664 0.114675
C 0.929756 -1.482570 1.302962
C 0.573947 -0.305557 -0.824094
C 5.798694 3.968374 0.247743
C 3.915750 2.563982 1.225248
H -5.382732 -1.510850 0.843480
H -5.046756 0.735653 1.889597
H -6.700732 0.491584 1.276421
H -7.007635 -0.962069 -0.909724
H -5.569470 -1.656848 -1.694413
H -5.913247 2.788275 0.658035
H -4.468538 2.112065 -0.125954
H -4.803015 0.665270 -2.361855
H -6.454229 0.371956 -2.932243
H -6.202730 2.663273 -1.857622
H -7.400150 1.654571 -1.009320
H -3.397147 -0.411438 -0.990187
H 5.434822 -0.485048 -2.112395
H 6.636319 -0.221612 0.121642
H 5.048394 0.001887 0.906064
H 6.035320 2.289000 1.596709
H 6.337179 1.867587 -0.998476
H 3.274852 0.654580 -1.349554
H 3.030148 -0.967281 -2.151836
H -0.879228 -1.893207 2.450488
H -1.456615 0.210058 -1.301209
H 1.624613 -1.929875 2.020305
H 0.963053 0.167109 -1.730114
H 5.634213 4.718248 1.041227
H 6.869308 3.997177 -0.032749
H 5.199322 4.259321 -0.635198
H 3.804781 3.218405 2.109427
H 3.583106 1.549041 1.507690
H 3.249290 2.933429 0.424122
H 4.578825 -2.428565 -0.194587


