%chk=000122056.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122056

0 1
 I    2.886800       3.001700       1.502100    
 O    1.669100      -2.092000      0.2169000    
 O   -2.655600       2.208100     -2.0300001E-02
 O   -4.631100       2.231800      -1.134900    
 O    5.331300       1.981900     -0.4093000    
 N   -5.641100      0.4574000      0.6987000    
 C   -3.806600     -0.8322000     -0.2944000    
 C   -4.199100      0.4456000      0.4636000    
 C   -2.339700      -1.169300     -0.1572000    
 C   -1.439100     -0.6632000      -1.079400    
 C   -1.925900      -1.978500      0.8878000    
 C   0.3480000      -1.788900      9.3800001E-02
 C  -8.5500002E-02 -0.9752000     -0.9529000    
 C  -0.5723000      -2.290400       1.014200    
 C   -3.877800       1.701300     -0.3285000    
 C    2.582500      -1.062000      6.6699997E-02
 C    2.345100      0.1470000      0.6951000    
 C    3.709000      -1.269300     -0.7087000    
 C    3.265300       1.184200      0.5428000    
 C    4.629200     -0.2323000     -0.8611000    
 C    4.407400      0.9945000     -0.2353000    
 H   -4.064200     -0.7481000      -1.359100    
 H   -4.384200      -1.690100      7.7699997E-02
 H   -3.705200      0.5088000       1.440100    
 H   -1.767300     -3.5100002E-02  -1.902400    
 H   -2.634500      -2.371600       1.611000    
 H   0.6051000     -0.5896000      -1.698200    
 H  -0.2403000      -2.923600       1.832500    
 H   -5.900400     -0.3466000       1.269600    
 H   -6.137100      0.3413000     -0.1848000    
 H    1.468500      0.2884000       1.322000    
 H    3.882300      -2.223700      -1.196800    
 H    5.514000     -0.3960000      -1.470800    
 H   -2.460500       3.025400     -0.5263000    
 H    6.047600       1.655100     -0.9802000    


%chk=000122056-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122056

0 1
I 3.232517 3.483225 0.458914
O 1.674191 -1.860667 0.275791
O -2.993300 1.993882 1.048618
O -4.065852 2.070130 -1.008801
O 5.800871 1.885580 -0.590509
N -5.995694 0.413943 0.413884
C -3.997128 -0.985680 -0.361465
C -4.546947 0.199960 0.524548
C -2.502809 -1.219578 -0.226177
C -1.583126 -0.596332 -1.109639
C -1.984037 -2.034311 0.813805
C 0.295120 -1.568155 0.096736
C -0.190335 -0.765734 -0.961141
C -0.595275 -2.211322 0.982399
C -3.873676 1.500789 0.090181
C 2.661410 -0.881588 0.007861
C 2.465533 0.494747 0.275236
C 3.910243 -1.354548 -0.445743
C 3.525856 1.397931 0.065642
C 4.966409 -0.443366 -0.641764
C 4.785419 0.941358 -0.396430
H -4.268866 -0.760997 -1.410356
H -4.561543 -1.887344 -0.054964
H -4.286361 0.011051 1.579500
H -1.960731 0.023933 -1.931611
H -2.674247 -2.538602 1.501307
H 0.503746 -0.291955 -1.662557
H -0.189006 -2.838827 1.781154
H -6.576860 -0.332374 0.800859
H -6.301411 0.749566 -0.504092
H 1.502672 0.851090 0.650267
H 4.040836 -2.423503 -0.633678
H 5.938901 -0.808604 -0.995349
H -2.564349 2.828159 0.710644
H 6.631532 1.452943 -0.909071


