%chk=000145662.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145662

0 1
 O   -3.113800       1.808600      -1.101100    
 O   -2.332200      -1.547500     -0.8762000    
 O    4.084400       1.429600      0.3116000    
 O    4.449900     -0.7001000     -9.8700002E-02
 N   -3.575200     -0.6886000       1.568500    
 N    3.672500      0.2676000      8.1200004E-02
 C   -2.851200      0.2195000      0.6846000    
 C   -1.912300     -0.6458000     -0.1520000    
 C  -0.4430000     -0.4055000     -9.1200002E-02
 C   -3.840000      0.9696000     -0.2088000    
 C   8.6000003E-03  0.8707000      0.1620000    
 C   0.4100000      -1.468500     -0.2897000    
 C    2.272500      3.8500000E-02  2.2500001E-02
 C    1.384000       1.095600      0.2195000    
 C    1.785500      -1.243700     -0.2322000    
 H   -2.301800      0.9283000       1.307600    
 H   -4.460200      0.2921000     -0.8066000    
 H   -4.503800       1.604200      0.3876000    
 H  -0.6499000       1.723000      0.2856000    
 H   4.5000002E-02  -2.472500     -0.4831000    
 H   -4.238300     -0.1608000       2.134700    
 H   -2.924500      -1.121100       2.223500    
 H    1.727400       2.108900      0.4124000    
 H    2.447400      -2.091500     -0.3893000    
 H   -2.655500       1.237700      -1.740700    


%chk=000145662-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145662

0 1
O -2.422054 1.907073 -0.919718
O -2.232953 -2.119745 0.520800
O 4.021939 1.683136 -0.231957
O 4.405256 -0.473471 -0.871041
N -4.146105 -0.519725 1.428356
N 3.635090 0.470814 -0.446273
C -2.979599 0.151559 0.906010
C -1.905941 -0.894142 0.578579
C -0.487358 -0.481185 0.300434
C -3.397914 0.941683 -0.410152
C -0.005931 0.841299 0.516459
C 0.413348 -1.484520 -0.159185
C 2.207593 0.140045 -0.188937
C 1.345302 1.156924 0.272338
C 1.761626 -1.183140 -0.410076
H -2.567563 0.903228 1.611645
H -3.709529 0.203036 -1.175266
H -4.273180 1.549982 -0.132573
H -0.677714 1.625499 0.873252
H 0.023956 -2.496708 -0.305886
H -4.831414 -0.014371 1.978135
H -4.160329 -1.537219 1.400618
H 1.738002 2.164341 0.431757
H 2.467925 -1.937373 -0.766196
H -1.736953 1.451278 -1.469421


