%chk=000106604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106604

0 1
 O    1.312000      0.2228000     -0.2698000    
 O   -4.735400      -2.067600     -6.8999998E-02
 O   -3.767600       1.984000      0.8700000    
 N   -3.525300      8.9999996E-03 -0.4859000    
 N    4.946400      7.3100001E-02  0.2805000    
 C   -1.079500      0.1357000     -0.3710000    
 C   -2.346100     -0.4465000      0.2481000    
 C   0.1690000     -0.3392000      0.3600000    
 C    2.514000     -0.1851000      0.3697000    
 C    3.691400      0.4501000     -0.3525000    
 C   -4.748900     -0.6441000     -7.8999996E-03
 C   -3.624200       1.471400     -0.4532000    
 C    6.078700      0.7182000     -0.3889000    
 C    5.115600      -1.382000      0.2700000    
 H   -1.054000       1.229200     -0.3289000    
 H   -1.006300     -0.1339000      -1.432400    
 H   -2.406900     -0.1847000       1.312200    
 H   -2.273000      -1.539700      0.1932000    
 H   0.2306000      -1.433200      0.3230000    
 H   0.1342000     -2.2299999E-02   1.409100    
 H    2.494600      0.1290000       1.420500    
 H    2.548900      -1.277900      0.3241000    
 H    3.667300      0.1705000      -1.414600    
 H    3.564900       1.540400     -0.3255000    
 H   -4.962100     -0.3722000       1.032300    
 H   -5.602200     -0.3160000     -0.6120000    
 H   -4.517200       1.774100      -1.014300    
 H   -2.797000       1.978200     -0.9569000    
 H    5.972400       1.808400     -0.3594000    
 H    6.170500      0.4081000      -1.436300    
 H    7.016700      0.4820000      0.1258000    
 H    4.445700      -1.876200      0.9802000    
 H    6.125400      -1.650200      0.6047000    
 H    4.971700      -1.813700     -0.7271000    
 H   -4.456200      -2.304400     -0.9697000    
 H   -3.863000       2.948500      0.7925000    


%chk=000106604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106604

0 1
O 1.321624 0.107174 -0.179248
O -4.630147 -2.085024 -0.498783
O -4.227253 2.241461 0.636379
N -3.623181 0.104573 -0.286939
N 5.045245 -0.108284 0.175399
C -1.096728 0.129476 -0.233595
C -2.406326 -0.191930 0.515991
C 0.131919 -0.309898 0.570152
C 2.570721 -0.292911 0.481520
C 3.718760 0.234277 -0.391237
C -4.784645 -0.726045 0.034767
C -3.879330 1.477777 -0.609728
C 6.107159 0.818035 -0.267282
C 5.425729 -1.518358 -0.048907
H -1.002028 1.215086 -0.425664
H -1.094779 -0.380630 -1.213994
H -2.437419 0.356827 1.481990
H -2.438314 -1.274474 0.737960
H 0.137580 -1.415239 0.710274
H 0.134219 0.161852 1.579738
H 2.639333 0.148443 1.498703
H 2.605085 -1.400467 0.580576
H 3.585551 -0.147922 -1.433924
H 3.627971 1.334595 -0.436939
H -4.921868 -0.893758 1.119301
H -5.687101 -0.225529 -0.371264
H -4.735923 1.526582 -1.311388
H -2.986175 1.931789 -1.080831
H 5.834896 1.854322 0.000129
H 6.300477 0.783160 -1.370181
H 7.052508 0.570230 0.248780
H 4.658941 -2.196062 0.363777
H 6.376889 -1.731664 0.471051
H 5.559290 -1.768302 -1.133025
H -4.362248 -1.999586 -1.450765
H -4.115334 3.214224 0.477805


