%chk=000042059.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042059

0 1
 O   -2.241800     -5.4099999E-02 -0.5741000    
 O  -0.8148000      -1.712100      4.1600000E-02
 N   1.3600000E-02  0.4453000     -0.4143000    
 C  -0.3368000       1.819800     -0.8013000    
 C   -3.345000     -0.6810000      9.1700003E-02
 C    1.398100      9.7000003E-02 -0.1740000    
 C  -0.9916000     -0.5382000     -0.2754000    
 C  -0.6182000       2.683000      0.4113000    
 C   -3.163200     -0.5477000       1.596000    
 C   -4.642900     -4.4000000E-02 -0.3810000    
 C    1.793700      -1.188500     -0.4313000    
 C    2.236000       1.071800      0.2982000    
 C    3.127400      -1.524500     -0.1992000    
 C    3.569800      0.7357000      0.5303000    
 C    4.015500     -0.5624000      0.2815000    
 H   0.4818000       2.243200      -1.395500    
 H   -1.211300       1.815500      -1.460700    
 H   -3.368600      -1.741500     -0.1879000    
 H   -1.554700       2.368600      0.8856000    
 H   0.1442000       2.647100       1.190300    
 H  -0.7436000       3.727000      0.1064000    
 H   -4.039000     -0.9322000       2.129100    
 H   -2.292100      -1.097500       1.964100    
 H   -3.019700      0.5004000       1.881100    
 H   -5.512500     -0.5107000      9.1200002E-02
 H   -4.740500     -0.1400000      -1.467700    
 H   -4.654400       1.028600     -0.1584000    
 H    1.173500      -1.950700     -0.8856000    
 H    1.954800       2.097400      0.4846000    
 H    3.480200      -2.529600     -0.4119000    
 H    4.263800       1.486000      0.8981000    
 H    5.055400     -0.8224000      0.4563000    


%chk=000042059-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042059

0 1
O -2.235827 0.193155 -0.116635
O -0.868190 -1.651001 0.343014
N 0.048810 0.462967 -0.255804
C -0.299822 1.868426 -0.623090
C -3.436061 -0.673310 0.158304
C 1.440136 0.091322 -0.150601
C -0.983770 -0.438226 0.019870
C -0.558327 2.778654 0.595368
C -3.676196 -0.731715 1.673515
C -4.580241 -0.031067 -0.629661
C 1.871831 -1.263109 -0.231142
C 2.423808 1.108912 0.006280
C 3.245759 -1.573947 -0.160313
C 3.794802 0.782296 0.070708
C 4.220156 -0.561372 -0.012337
H 0.522457 2.260154 -1.245381
H -1.203792 1.836485 -1.250289
H -3.200172 -1.683892 -0.223159
H -1.423377 2.406865 1.169820
H 0.313981 2.822954 1.270601
H -0.786691 3.806020 0.256205
H -4.567944 -1.348291 1.890357
H -2.811303 -1.185730 2.184988
H -3.847711 0.281517 2.079411
H -5.505675 -0.619106 -0.492015
H -4.345720 0.003485 -1.707378
H -4.767834 0.999062 -0.278166
H 1.134817 -2.060055 -0.328879
H 2.133370 2.158706 0.096918
H 3.552550 -2.624007 -0.226506
H 4.528749 1.586708 0.194500
H 5.284528 -0.813559 0.040598


