%chk=000021741.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021741

0 1
 O   -3.483100      -1.700300       1.456000    
 O   -4.415300      -1.668100      -1.280200    
 O   -4.210600      0.6022000      -1.261500    
 O    4.796700      -2.167400     -0.5952000    
 O    4.197300     -0.2607000      -1.513500    
 N   -1.222500      -1.991900       1.302900    
 N   -1.800200      0.5195000     -0.2687000    
 N    3.944300      -1.276300     -0.8226000    
 C   0.3938000     -0.5624000      6.0500000E-02
 C  -0.5339000      0.6043000     -4.1600000E-02
 C   5.7900000E-02  -1.722300      0.7769000    
 C   -2.394800     -0.7835000     -0.4809000    
 C   1.5100000E-02   1.975700      0.1626000    
 C    1.680700     -0.4345000     -0.4879000    
 C   -2.429000      -1.498500      0.8506000    
 C    1.049100      -2.684600       1.022300    
 C    2.641100      -1.423100     -0.2772000    
 C    2.330900      -2.539100      0.4923000    
 C    1.101800       2.160400       1.007700    
 C  -0.5670000       3.051900     -0.4948000    
 C   -3.752500     -0.5095000      -1.043700    
 C    1.615300       3.443200       1.198300    
 C  -5.3300001E-02   4.334700     -0.3043000    
 C    1.037900       4.530400      0.5422000    
 H   -1.850700      -1.366000      -1.234800    
 H    1.920100      0.4453000      -1.081500    
 H   -1.268500      -2.673400       2.056300    
 H   0.8217000      -3.576400       1.602800    
 H    3.057000      -3.322600      0.6938000    
 H    1.551700       1.346700       1.568500    
 H   -1.411500       2.922900      -1.166100    
 H    2.458900       3.597400       1.864800    
 H  -0.5018000       5.181000     -0.8163000    
 H    1.436700       5.529400      0.6920000    
 H   -5.310300      -1.509500      -1.649000    


%chk=000021741-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021741

0 1
O -3.567103 -1.752889 1.483870
O -4.139950 -1.836311 -1.634979
O -4.513346 0.406171 -1.123518
O 4.764752 -2.417157 -0.694877
O 4.232563 -0.379968 -1.578817
N -1.250513 -1.874996 1.407299
N -1.796197 0.592861 -0.228479
N 3.948683 -1.434261 -0.889447
C 0.409373 -0.514588 0.131938
C -0.503817 0.672338 0.024259
C 0.028349 -1.712121 0.826714
C -2.389965 -0.729876 -0.464510
C 0.064600 2.045596 0.195427
C 1.709077 -0.451247 -0.429545
C -2.500495 -1.486792 0.883983
C 0.971825 -2.765512 1.002706
C 2.603355 -1.524609 -0.277690
C 2.258467 -2.682285 0.458123
C 1.227774 2.288812 0.976358
C -0.610845 3.148320 -0.397083
C -3.786005 -0.596658 -1.083854
C 1.711338 3.603911 1.148691
C -0.122778 4.458326 -0.227797
C 1.042181 4.691722 0.543338
H -1.779665 -1.365850 -1.144750
H 2.031612 0.435061 -0.982325
H -1.324476 -2.492207 2.223684
H 0.670235 -3.665279 1.550374
H 2.986916 -3.489019 0.571076
H 1.742684 1.459482 1.472958
H -1.519638 2.952118 -0.974033
H 2.604647 3.778758 1.757829
H -0.647681 5.298586 -0.694932
H 1.421393 5.711399 0.672960
H -5.074351 -1.796936 -1.974251


