%chk=000002947.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002947

0 1
 O    3.320000      0.6613000      8.6999997E-02
 O    2.879400      -2.006800     -3.4800000E-02
 N   -1.917700      -1.263500     -2.4100000E-02
 N   0.7972000       2.386900      1.9500000E-02
 C  -0.2800000      0.4791000     -1.8300001E-02
 C   -1.247800       1.489800     -7.5900003E-02
 C   -2.687300       1.150600     -0.1840000    
 C   -2.951200     -0.2665000      0.3794000    
 C  -0.5496000     -0.9184000     -2.8200001E-02
 C   0.9721000       1.025000      1.8600000E-02
 C  -0.5540000       2.680700     -4.4599999E-02
 C   0.5046000      -1.763700     -4.0300000E-02
 C    2.172300      0.2484000      3.8800001E-02
 C   -2.374600      -2.649700     -7.7200003E-02
 C    1.916700      -1.253200     -1.5799999E-02
 H   -2.974400       1.176400      -1.242400    
 H   -3.306700       1.882100      0.3459000    
 H   -3.948600     -0.5872000      5.6600001E-02
 H   -2.965200     -0.2254000       1.476400    
 H  -0.8845000       3.709400     -7.3299997E-02
 H    1.538400       3.073600      4.2599998E-02
 H   0.3860000      -2.841300     -4.9800001E-02
 H   -3.443800      -2.712800     -0.3054000    
 H   -1.850600      -3.205500     -0.8620000    
 H   -2.201300      -3.143200      0.8848000    


%chk=000002947-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002947

0 1
O 3.353755 0.690792 0.061925
O 2.876059 -2.119933 -0.010738
N -1.938795 -1.257394 -0.068534
N 0.816258 2.431463 0.031090
C -0.318528 0.500768 -0.000975
C -1.274926 1.548669 -0.061252
C -2.729534 1.174769 -0.206823
C -2.945270 -0.247261 0.385849
C -0.589934 -0.927213 -0.040510
C 0.970178 1.044019 0.046528
C -0.540486 2.753357 -0.036915
C 0.497461 -1.803008 -0.062999
C 2.174722 0.227375 0.039407
C -2.341973 -2.670818 -0.074007
C 1.880271 -1.325628 -0.018042
H -3.015320 1.176581 -1.277410
H -3.407560 1.876183 0.313092
H -3.942252 -0.620154 0.093643
H -2.920776 -0.182033 1.495631
H -0.876818 3.787641 -0.064346
H 1.596371 3.088312 0.061155
H 0.376528 -2.889868 -0.077446
H -3.416559 -2.747610 -0.306223
H -1.780020 -3.217967 -0.850599
H -2.153453 -3.164942 0.902000


