%chk=000027444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027444

0 1
 O   -5.065300      -1.013100     -0.2478000    
 O    3.025800       1.390400      0.9418000    
 O   -3.021000       2.682000      8.9699998E-02
 N    5.881500     -0.4973000     -0.4199000    
 C    5.058700      0.1766000      0.5735000    
 C   -3.285800      0.3363000      2.7000001E-02
 C    6.282400      0.4329000      -1.478200    
 C    7.065400      -1.092200      0.2051000    
 C   -2.828700      -1.007400      7.1000002E-02
 C   -4.646300      0.2769000     -0.1675000    
 C    3.808500      0.7562000     -6.8700001E-02
 C   -3.960400      -1.797500     -0.1029000    
 C   -5.693900       1.301100     -0.2990000    
 C   -2.521800       1.543400      0.1550000    
 C   -1.041900       1.501500      0.3655000    
 C    7.084300     -0.2754000      -2.556900    
 C    6.675400      -2.062000       1.307500    
 C   -1.585600      -1.642100      0.2380000    
 C    1.678800       1.426000      0.7508000    
 C   -3.945000      -3.191000     -0.1224000    
 C  -0.2222000       1.502000     -0.7384000    
 C  -0.5619000       1.464900       1.653400    
 C   -5.921100       1.741900      -1.752000    
 C    1.158400       1.463600     -0.5428000    
 C   0.8187000       1.426600       1.848900    
 C   -1.538400      -3.042900      0.2231000    
 C   -2.698400      -3.801200      4.6000000E-02
 H    4.704800     -0.5117000       1.349100    
 H    5.610300      0.9703000       1.095300    
 H    5.413200      0.8306000      -2.008400    
 H    6.852600       1.283700      -1.085200    
 H    7.629300      -1.683800     -0.5233000    
 H    7.742200     -0.3289000      0.6093000    
 H    3.257000     -5.9599999E-02 -0.5552000    
 H    4.037800       1.538600     -0.7964000    
 H   -6.639700      0.9060000      9.2600003E-02
 H   -5.463100       2.178100      0.3145000    
 H    8.106500     -0.5012000      -2.238200    
 H    6.598900      -1.202200      -2.882000    
 H    7.169800      0.3731000      -3.436400    
 H    6.346700      -1.551700       2.218100    
 H    5.892500      -2.755800      0.9824000    
 H    7.546600      -2.664900       1.588600    
 H  -0.6562000      -1.106200      0.3786000    
 H   -4.848900      -3.772200     -0.2603000    
 H  -0.6240000       1.537400      -1.746300    
 H   -1.228200       1.465200       2.510500    
 H   -5.011400       2.180400      -2.175500    
 H   -6.718000       2.490300      -1.799400    
 H   -6.209800      0.8912000      -2.378500    
 H    1.791600       1.492600      -1.424500    
 H    1.218300       1.397200       2.858900    
 H  -0.5836000      -3.546600      0.3513000    
 H   -2.631300      -4.886300      3.8899999E-02


%chk=000027444-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027444

0 1
O -5.675855 -0.009703 0.541347
O 3.054801 -0.010751 0.739091
O -2.566129 1.283607 -2.105252
N 6.653544 0.144069 -0.245864
C 5.467800 -0.096670 0.612546
C -3.504486 0.092119 -0.252684
C 7.068867 1.574328 -0.258822
C 7.774292 -0.799373 0.011338
C -3.651498 -1.150769 0.516827
C -4.747089 0.731304 -0.226539
C 4.186679 0.103007 -0.207078
C -4.997956 -1.172242 0.980289
C -5.269648 1.990484 -0.837133
C -2.354229 0.614858 -1.034774
C -0.952428 0.389226 -0.566196
C 7.821947 1.973950 -1.541796
C 7.509142 -2.206693 -0.556074
C -2.825558 -2.263752 0.821536
C 1.759891 0.131538 0.240005
C -5.562470 -2.201633 1.742903
C 0.101196 0.498101 -1.511637
C -0.619209 0.159903 0.799600
C -6.014408 1.730478 -2.177139
C 1.447183 0.361632 -1.127598
C 0.719845 0.038867 1.202174
C -3.368689 -3.319869 1.584711
C -4.714477 -3.291313 2.046467
H 5.485445 -1.132491 0.993661
H 5.440374 0.572357 1.503639
H 6.152948 2.190604 -0.183313
H 7.688822 1.824458 0.639094
H 8.677378 -0.388870 -0.475354
H 8.007532 -0.868013 1.103881
H 4.108659 -0.671757 -0.993612
H 4.172628 1.103080 -0.685137
H -5.951629 2.481454 -0.117383
H -4.417522 2.662973 -1.033176
H 8.762656 1.407376 -1.662057
H 7.193579 1.780341 -2.428538
H 8.081040 3.048837 -1.517374
H 6.616592 -2.673280 -0.100097
H 7.344469 -2.150763 -1.646162
H 8.370338 -2.872244 -0.359689
H -1.789954 -2.308212 0.472782
H -6.603690 -2.162845 2.074558
H -0.162219 0.700732 -2.555057
H -1.412431 0.103080 1.551629
H -5.315530 1.300034 -2.913584
H -6.407189 2.681068 -2.580025
H -6.861609 1.036846 -2.034502
H 2.236103 0.436460 -1.881291
H 0.988791 -0.120826 2.250595
H -2.740389 -4.184091 1.826320
H -5.102153 -4.127212 2.638245


