%chk=000226361.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226361

0 1
 O   -2.768900      -1.886900      -1.262100    
 O    2.264100     -3.5300002E-02  -2.233200    
 O    3.351400      -1.344400     -3.5700001E-02
 O    5.271200     -0.4868000      0.7693000    
 O    3.310600      0.6634000       1.151500    
 N   -2.905400      0.1202000     -6.8400003E-02
 C   -2.235200       1.188600      0.6863000    
 C   -4.328800      0.2427000     -0.2197000    
 C   -1.779300       2.335700     -0.2094000    
 C   -5.094600     -0.4311000      0.9140000    
 C   -1.056500       3.437700      0.5687000    
 C   -6.611800     -0.3266000      0.7422000    
 C   -2.228900     -0.9810000     -0.6281000    
 C  -0.7683000      -1.073900     -0.4758000    
 C  -0.5613000       4.537700     -0.3573000    
 C   -7.348100      -1.058200       1.853800    
 C   7.0600003E-02 -0.5053000      -1.434300    
 C  -0.2226000      -1.731400      0.6267000    
 C    1.455200     -0.5941000      -1.290400    
 C    1.162000      -1.820400      0.7706000    
 C    2.001000      -1.251800     -0.1879000    
 C    1.626700      0.6186000      -3.328900    
 C    3.925900     -0.2855000      0.6818000    
 C    6.001400      0.5185000       1.479700    
 C    7.469500      0.1495000       1.486500    
 H   -2.923400       1.556200       1.456800    
 H   -1.373000      0.7750000       1.217500    
 H   -4.596800       1.303300     -0.2908000    
 H   -4.623300     -0.2193000      -1.169800    
 H   -2.649100       2.766900     -0.7207000    
 H   -1.120900       1.962500     -0.9995000    
 H   -4.805700      1.6100001E-02   1.873300    
 H   -4.806700      -1.488800      0.9686000    
 H   -1.732000       3.868000       1.316900    
 H  -0.2021000       3.011700       1.107400    
 H   -6.912700      0.7273000      0.7390000    
 H   -6.906600     -0.7523000     -0.2239000    
 H   0.1442000       4.141500      -1.094800    
 H  -4.9699999E-02   5.315600      0.2181000    
 H   -1.394200       5.003400     -0.8936000    
 H   -7.092400      -2.122600       1.859700    
 H   -8.429900     -0.9695000       1.713800    
 H   -7.096500     -0.6385000       2.833000    
 H  -0.4122000     -1.5200000E-02  -2.273300    
 H  -0.8674000      -2.177500       1.379400    
 H    1.580100      -2.334400       1.631900    
 H    2.419200       1.006000      -3.977700    
 H    1.038200       1.481000      -2.997300    
 H    1.038200     -8.2400002E-02  -3.930500    
 H    5.630500      0.5805000       2.509000    
 H    5.865300       1.486700      0.9851000    
 H    8.058600      0.8987000       2.022800    
 H    7.850600      6.6100001E-02  0.4633000    
 H    7.619700     -0.8253000       1.962100    


%chk=000226361-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226361

0 1
O -2.572185 -1.094166 -1.452673
O 2.678840 -0.869307 -1.803078
O 3.409497 -1.226275 0.827937
O 5.596559 -0.835819 0.752493
O 4.151959 0.929519 0.192459
N -2.936794 0.510159 0.193152
C -2.458200 1.656481 1.004341
C -4.386982 0.472985 -0.133985
C -2.353521 2.971578 0.192977
C -5.123958 -0.665016 0.607179
C -1.946394 4.169520 1.080872
C -6.625944 -0.717097 0.248002
C -2.114888 -0.371344 -0.503163
C -0.662207 -0.497743 -0.104212
C -1.818835 5.484709 0.282342
C -7.371441 -1.851675 0.983262
C 0.295423 -0.554813 -1.146688
C -0.256497 -0.700365 1.237083
C 1.660104 -0.769378 -0.857309
C 1.107285 -0.918875 1.533773
C 2.054992 -0.928531 0.501327
C 2.314120 -0.689432 -3.212235
C 4.370712 -0.247046 0.536684
C 6.771483 0.068495 0.538798
C 8.012824 -0.763641 0.836407
H -3.156446 1.795782 1.853310
H -1.469621 1.422190 1.428155
H -4.824727 1.451450 0.137336
H -4.501502 0.329941 -1.224325
H -3.321983 3.189652 -0.300650
H -1.607663 2.834407 -0.615088
H -5.005052 -0.532929 1.701955
H -4.644629 -1.625282 0.338899
H -2.694686 4.298476 1.890000
H -0.981692 3.945402 1.579756
H -7.101207 0.256101 0.490846
H -6.732001 -0.853548 -0.847236
H -1.052341 5.393651 -0.509651
H -1.529340 6.327017 0.936837
H -2.776287 5.748307 -0.205275
H -6.934582 -2.836527 0.733425
H -8.442030 -1.876751 0.708805
H -7.305899 -1.724432 2.080421
H -0.058274 -0.465882 -2.177431
H -0.999120 -0.724876 2.040983
H 1.448264 -1.088150 2.559405
H 3.257201 -0.798745 -3.766471
H 1.889379 0.317282 -3.386689
H 1.593758 -1.463212 -3.539032
H 6.669075 0.937059 1.214399
H 6.742013 0.431483 -0.504332
H 8.918287 -0.146768 0.690837
H 8.072471 -1.635432 0.163230
H 8.002580 -1.127992 1.877537


