%chk=000122648.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122648

0 1
 O    1.361600      0.1033000     -0.6207000    
 O    3.033500      -1.794000       1.926300    
 O   -1.888000      -2.312900      -1.418200    
 O   -4.595900      0.9935000      0.2801000    
 N  -0.8736000     -0.5273000     -0.3080000    
 N   -3.226700     -0.6567000     -0.5668000    
 N    3.687000       1.735800     -0.7016000    
 C    2.440600      -1.555000      0.6672000    
 C   0.4649000      -1.010600     -0.4822000    
 C   0.9568000      -1.833700      0.6943000    
 C    2.460700     -8.3200000E-02  0.2866000    
 C    3.752900      0.3500000     -0.3826000    
 C   -1.062000      0.6709000      0.3688000    
 C   -1.980500      -1.245100     -0.8091000    
 C   -2.255800       1.231200      0.5990000    
 C   -3.471200      0.5335000      0.1015000    
 C   -2.436500       2.522600       1.330100    
 C    3.632400       2.877900     -0.9647000    
 H    2.927000      -2.181100     -9.0400003E-02
 H   0.5309000      -1.597000      -1.406400    
 H   0.7169000      -2.897300      0.5972000    
 H   0.5225000      -1.500600       1.646000    
 H    2.277700      0.5474000       1.166600    
 H    3.910600     -0.2028000      -1.316100    
 H    4.612800      0.1746000      0.2721000    
 H  -0.1744000       1.165000      0.7486000    
 H    3.966000      -1.525600       1.867400    
 H   -4.038900      -1.156200     -0.9185000    
 H   -2.931500       3.259100      0.6888000    
 H   -1.480100       2.949800       1.649600    
 H   -3.049100       2.372700       2.225100    


%chk=000122648-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122648

0 1
O 1.384879 0.014716 -0.762110
O 3.037206 -1.531274 2.140109
O -1.818604 -2.177370 -1.698448
O -4.717618 1.016918 0.106422
N -0.920504 -0.520490 -0.276954
N -3.223273 -0.544264 -0.774858
N 3.915234 1.685023 -0.940672
C 2.500567 -1.467467 0.783565
C 0.434628 -1.084030 -0.434325
C 0.993188 -1.771500 0.831377
C 2.525531 -0.033040 0.184037
C 3.811550 0.297629 -0.589974
C -1.129068 0.615738 0.512316
C -1.979529 -1.153804 -0.977044
C -2.360398 1.196595 0.696361
C -3.527226 0.598714 0.025171
C -2.583277 2.429006 1.536149
C 3.982844 2.853303 -1.225802
H 3.024937 -2.171786 0.102234
H 0.374087 -1.768257 -1.296025
H 0.769452 -2.848693 0.847610
H 0.579970 -1.314636 1.748715
H 2.371748 0.697518 1.004826
H 3.839604 -0.313637 -1.511141
H 4.688596 0.026207 0.031607
H -0.224142 1.041692 0.952778
H 4.020384 -1.640520 2.120126
H -4.012734 -0.980089 -1.262630
H -3.027044 3.238528 0.929046
H -1.639918 2.794462 1.976287
H -3.300475 2.223008 2.351245


