%chk=000102735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102735

0 1
 O   -5.138000     -0.5957000      -1.010100    
 N   -3.354200      5.6499999E-02  0.2977000    
 N  -0.8243000       1.155800     -0.4206000    
 C   -2.226300     -0.1432000       1.195400    
 C   -3.288600       1.449800     -0.1041000    
 C   -2.316400       1.096200       2.098900    
 C   -3.026600       2.157200       1.232800    
 C  -0.9533000     -0.1179000      0.3179000    
 C   -2.085200       1.577800      -1.066000    
 C   -4.205700     -0.8755000     -0.2547000    
 C   0.2764000       1.110200      -1.376900    
 C   -3.941300      -2.307700      0.1301000    
 C    1.609500      0.8523000     -0.7107000    
 C   -4.963800      -3.213000     -0.5138000    
 C    2.019000       1.864400      0.3296000    
 C    2.436800     -0.1674000      -1.014100    
 C    3.753200     -0.4156000     -0.4181000    
 C    4.885600      0.1385000      -1.001700    
 C    3.852400      -1.201600      0.7229000    
 C    6.138100     -9.7800002E-02 -0.4350000    
 C    5.104900      -1.437600       1.289600    
 C    6.247700     -0.8857000      0.7107000    
 H   -2.289900      -1.075600       1.760900    
 H   -4.211500       1.782200     -0.5888000    
 H   -1.340500       1.434400       2.461600    
 H   -2.938100      0.8782000       2.975600    
 H   -3.977200       2.427100       1.708600    
 H   -2.438700       3.074300       1.125400    
 H  -9.1799997E-02 -0.2693000      0.9779000    
 H  -0.9889000     -0.9608000     -0.3852000    
 H   -2.276000      0.9667000      -1.958300    
 H   -1.994800       2.621700      -1.388500    
 H   8.5699998E-02  0.3533000      -2.149300    
 H   0.3518000       2.073000      -1.899100    
 H   -2.934700      -2.590900     -0.1932000    
 H   -4.007400      -2.408000       1.218200    
 H   -4.777400      -4.254100     -0.2312000    
 H   -4.922800      -3.151400      -1.606700    
 H   -5.981500      -2.958400     -0.1985000    
 H    3.044100       1.760300      0.6934000    
 H    1.361800       1.805000       1.203400    
 H    1.939100       2.875000     -8.6599998E-02
 H    2.142900     -0.8853000      -1.776400    
 H    4.814300      0.7543000      -1.894600    
 H    2.969900      -1.637500       1.184100    
 H    7.027900      0.3319000     -0.8856000    
 H    5.190500      -2.051000       2.181800    
 H    7.222800      -1.069500       1.152100    


%chk=000102735-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102735

0 1
O -5.131283 -0.366310 -1.347875
N -3.416023 -0.085484 0.183547
N -0.846599 1.123764 -0.268326
C -2.257737 -0.455222 1.036181
C -3.303086 1.387573 0.032761
C -2.330553 0.614709 2.167726
C -3.034442 1.844181 1.496377
C -0.976937 -0.286571 0.174011
C -2.087091 1.661760 -0.889271
C -4.289228 -0.876768 -0.540389
C 0.361665 1.367044 -1.093534
C -4.196478 -2.393646 -0.293284
C 1.666466 1.154791 -0.326692
C -5.272265 -3.174119 -1.068960
C 1.815627 1.996353 0.926224
C 2.576988 0.251334 -0.810953
C 3.921823 -0.113416 -0.318002
C 4.455404 -1.377190 -0.711562
C 4.742853 0.725291 0.493284
C 5.731078 -1.802560 -0.289609
C 6.022840 0.302389 0.911564
C 6.522535 -0.964729 0.531185
H -2.332899 -1.489407 1.407198
H -4.224940 1.788290 -0.415765
H -1.321633 0.868590 2.533653
H -2.925099 0.230850 3.015192
H -3.987974 2.078722 2.000395
H -2.394589 2.742001 1.520663
H -0.079102 -0.555424 0.760258
H -1.036411 -0.994599 -0.693224
H -2.299264 1.204292 -1.887115
H -1.957709 2.751006 -1.036127
H 0.368112 0.735093 -2.017187
H 0.308402 2.424754 -1.428344
H -3.185348 -2.743633 -0.586310
H -4.287668 -2.592171 0.793769
H -5.164655 -4.260091 -0.893880
H -5.193197 -2.977175 -2.151152
H -6.283754 -2.862839 -0.758125
H 2.306648 2.966511 0.707995
H 2.409619 1.489329 1.705814
H 0.810550 2.217591 1.328383
H 2.260465 -0.321711 -1.697622
H 3.850664 -2.031296 -1.352466
H 4.398368 1.725576 0.767488
H 6.111063 -2.781613 -0.602798
H 6.637514 0.968692 1.527770
H 7.516782 -1.288912 0.857933


