%chk=000038823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038823

0 1
 O   -2.517300      -1.000200      0.7535000    
 O    1.601300       1.916100      8.5100003E-02
 N    3.513400     -7.1599998E-02  9.4999997E-03
 N  -3.0500000E-02  0.2776000      0.4906000    
 C    2.273200     -0.3040000      0.7490000    
 C    4.519800      -1.068300      0.3735000    
 C    3.262700     -0.1007000      -1.430900    
 C    1.266500      0.7787000      0.4004000    
 C    4.837900      -1.010700       1.858000    
 C    4.541300      0.1392000      -2.215600    
 C   -1.241600      0.9674000      0.2454000    
 C   -2.453700      0.3102000      0.3833000    
 C   -3.139000      -1.901400     -0.1598000    
 C   -1.183600       2.300000     -0.1313000    
 C   -2.520400      -3.280300      1.2100000E-02
 C   -3.639000       1.003500      0.1382000    
 C   -2.369000       2.993200     -0.3764000    
 C   -3.596600       2.345000     -0.2418000    
 C   -3.125300      -4.293700     -0.9428000    
 H    1.867300      -1.301100      0.5379000    
 H    2.413100     -0.2103000       1.831200    
 H    5.470400     -0.8661000     -0.1302000    
 H    4.209900      -2.084600      9.9399999E-02
 H    2.564500      0.6829000      -1.740400    
 H    2.823800      -1.057500      -1.743100    
 H    5.029100      1.4600000E-02   2.193000    
 H    4.043300      -1.443700       2.473400    
 H    5.742800      -1.594400       2.062200    
 H    5.096900       1.003300      -1.835500    
 H    5.199200     -0.7353000      -2.226400    
 H    4.292500      0.3493000      -3.262300    
 H  -0.1468000     -0.6943000      0.7699000    
 H   -3.000400      -1.562700      -1.194800    
 H   -4.212800      -1.939000      5.6400001E-02
 H  -0.2794000       2.875600     -0.2581000    
 H   -2.653600      -3.616900       1.047200    
 H   -1.437100      -3.219400     -0.1479000    
 H   -4.603600      0.5153000      0.2475000    
 H   -2.337700       4.038100     -0.6717000    
 H   -4.519500       2.885500     -0.4307000    
 H   -2.965900      -3.995800      -1.984000    
 H   -2.663800      -5.275300     -0.7963000    
 H   -4.202200      -4.396300     -0.7754000    


%chk=000038823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038823

0 1
O -2.153038 -1.157234 -0.150046
O 1.701805 1.893377 0.334707
N 3.698850 -0.225703 -0.009632
N 0.064794 0.223758 0.130380
C 2.368236 -0.487592 0.545606
C 4.744287 -1.128230 0.532043
C 3.701969 -0.119231 -1.491771
C 1.371766 0.673863 0.314277
C 5.083947 -0.854445 2.010265
C 4.891511 0.696517 -2.032449
C -1.122148 0.988631 -0.000302
C -2.333736 0.243016 -0.152166
C -3.342833 -2.013451 -0.301631
C -1.178853 2.402601 0.009590
C -2.867180 -3.467881 -0.269533
C -3.572927 0.897786 -0.287607
C -2.426110 3.055988 -0.126087
C -3.616259 2.313377 -0.273728
C -4.045098 -4.453574 -0.432614
H 1.914163 -1.443194 0.159473
H 2.460443 -0.608656 1.641793
H 5.657761 -0.968202 -0.067232
H 4.465985 -2.207758 0.401810
H 2.771724 0.398608 -1.788092
H 3.678691 -1.130488 -1.975825
H 5.348048 0.208513 2.144366
H 4.243342 -1.086657 2.689364
H 5.941486 -1.477418 2.325717
H 4.890465 1.698759 -1.571756
H 5.864313 0.217320 -1.819267
H 4.810200 0.808005 -3.129794
H -0.090666 -0.789320 0.091715
H -3.843342 -1.779704 -1.264249
H -4.051720 -1.807545 0.527117
H -0.248714 2.962620 0.120854
H -2.343963 -3.653095 0.687341
H -2.128028 -3.620218 -1.078364
H -4.498516 0.326459 -0.402557
H -2.459708 4.150445 -0.116871
H -4.579209 2.824217 -0.379516
H -4.569397 -4.299333 -1.394251
H -3.686287 -5.497423 -0.410022
H -4.785954 -4.335609 0.380246


