%chk=000089026.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089026

0 1
 O    4.044500      0.2224000      0.6922000    
 N    2.267500     -0.1623000     -0.7597000    
 N    3.357000       1.866600     -0.7550000    
 C   0.9514000      -1.576700      0.7780000    
 C  -0.3696000     -0.9800000      0.4274000    
 C   -1.844000      0.9318000      0.3351000    
 C    1.974900      -1.513400     -0.3624000    
 C  -0.6084000      0.3739000      0.6636000    
 C   -2.840700      0.1356000     -0.2294000    
 C   -1.366400      -1.776000     -0.1370000    
 C   -2.601900      -1.218200     -0.4654000    
 C   -2.078000       2.383200      0.5987000    
 C   -4.171600      0.7105000     -0.5887000    
 C    3.285200      0.6026000     -0.1974000    
 H   0.8142000      -2.624400       1.075200    
 H    1.355900      -1.072500       1.665700    
 H    2.903400      -2.002600     -4.8300002E-02
 H    1.599100      -2.036600      -1.248500    
 H   0.1693000      0.9917000       1.106500    
 H   -1.191800      -2.831600     -0.3279000    
 H   -3.367100      -1.852600     -0.9049000    
 H   -1.196700       2.863200       1.038200    
 H   -2.302400       2.913100     -0.3327000    
 H   -2.904700       2.518800       1.303500    
 H   -4.670400       1.113000      0.2990000    
 H   -4.060400       1.503300      -1.335300    
 H   -4.837800     -4.6100002E-02  -1.018000    
 H    1.696900      0.2580000      -1.486900    
 H    2.720300       2.162800      -1.487000    
 H    4.051000       2.538600     -0.4454000    


%chk=000089026-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089026

0 1
O 4.398206 -0.017700 0.211671
N 2.263705 -0.148051 -0.754994
N 3.527030 1.832058 -0.912043
C 0.980639 -1.552200 0.903841
C -0.375700 -0.979172 0.521417
C -1.936539 0.950510 0.403644
C 2.002628 -1.507611 -0.272659
C -0.700999 0.375180 0.792689
C -2.892266 0.145289 -0.288022
C -1.334192 -1.766040 -0.164710
C -2.569182 -1.207460 -0.559504
C -2.239236 2.402051 0.733252
C -4.233375 0.716830 -0.713876
C 3.449890 0.516823 -0.442891
H 0.876286 -2.609519 1.216089
H 1.413550 -0.996765 1.755960
H 2.972418 -1.914605 0.061121
H 1.629610 -2.129574 -1.109438
H 0.022315 0.993533 1.340356
H -1.117514 -2.819546 -0.382235
H -3.302296 -1.833322 -1.083262
H -1.390511 2.880259 1.251284
H -2.458368 2.992659 -0.177493
H -3.127552 2.493060 1.388128
H -4.815498 1.081227 0.154775
H -4.113318 1.579486 -1.397778
H -4.843227 -0.042317 -1.232602
H 1.479809 0.363971 -1.162972
H 2.825743 2.260293 -1.512277
H 4.386647 2.336755 -0.714268


