%chk=000091871.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091871

0 1
 O  -0.7795000     -0.3926000      -1.942800    
 N   -1.568900      0.2654000      0.1459000    
 C   0.7783000     -0.1563000     -0.1394000    
 C    1.184300       1.281100      0.2906000    
 C    1.821900     -0.5693000      -1.205500    
 C    2.633900       1.425000     -0.1741000    
 C   0.7315000      -1.191300      0.9873000    
 C    2.636000      0.6854000      -1.499100    
 C  -0.5954000     -0.1209000     -0.7593000    
 C    1.017300       1.628100       1.764300    
 C   0.3310000      -2.557900      0.4397000    
 C    2.079900      -1.268100       1.697300    
 C   -2.964700      0.4001000     -0.2038000    
 C   -3.614800       1.499100      0.6264000    
 C   -3.690600     -0.9278000     -2.7300000E-02
 H   0.5839000       2.003000     -0.2832000    
 H    1.408200     -0.9669000      -2.137500    
 H    2.521000      -1.336400     -0.8646000    
 H    3.345600      0.9652000      0.5192000    
 H    2.919200       2.474700     -0.2974000    
 H  -9.6000005E-03 -0.9434000       1.754200    
 H    2.141000       1.285200      -2.272100    
 H    3.647900      0.4532000      -1.843800    
 H   0.8012000       2.702800       1.835800    
 H   0.1858000       1.131100       2.264000    
 H    1.925400       1.503600       2.358200    
 H    1.024700      -2.938700     -0.3157000    
 H   0.3185000      -3.294300       1.252300    
 H  -0.6752000      -2.560000      9.8000001E-03
 H    2.879000      -1.681400       1.076400    
 H    1.986200      -1.968900       2.538100    
 H    2.449900     -0.3525000       2.141000    
 H   -1.330500      0.4413000       1.113300    
 H   -3.022700      0.6849000      -1.261400    
 H   -4.663400       1.636200      0.3428000    
 H   -3.578500       1.264900       1.696200    
 H   -3.096500       2.453200      0.4806000    
 H   -3.241300      -1.705900     -0.6540000    
 H   -4.745600     -0.8378000     -0.3059000    
 H   -3.638900      -1.272700       1.011500    


%chk=000091871-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091871

0 1
O -0.870644 -0.146010 -1.951520
N -1.624505 0.204890 0.203288
C 0.829793 -0.154245 -0.120840
C 1.257726 1.339962 0.268254
C 1.828344 -0.553722 -1.263911
C 2.726868 1.464169 -0.210961
C 0.852398 -1.186251 1.074219
C 2.721353 0.686967 -1.546290
C -0.614814 -0.058379 -0.708422
C 1.003875 1.822903 1.710325
C 0.275072 -2.559083 0.641007
C 2.246669 -1.407386 1.716990
C -3.039653 0.384128 -0.197540
C -3.722967 1.384754 0.756148
C -3.779069 -0.974335 -0.248441
H 0.666058 2.001753 -0.400432
H 1.269714 -0.866203 -2.161379
H 2.458175 -1.402212 -0.943709
H 3.418459 0.991303 0.512825
H 3.033551 2.521112 -0.324604
H 0.200635 -0.788905 1.883582
H 2.261224 1.311047 -2.336174
H 3.733889 0.407811 -1.889357
H 1.339631 2.872199 1.812939
H -0.071093 1.805211 1.973808
H 1.550501 1.229057 2.463113
H 0.883679 -3.002355 -0.168676
H 0.281137 -3.266127 1.491722
H -0.763243 -2.475618 0.273614
H 2.949411 -1.882069 1.008661
H 2.148532 -2.085818 2.585493
H 2.708451 -0.471287 2.072130
H -1.404804 0.223360 1.200494
H -3.010587 0.799741 -1.221321
H -4.767373 1.559436 0.442809
H -3.748416 0.996273 1.793573
H -3.195463 2.355405 0.758736
H -3.263944 -1.660760 -0.942086
H -4.817217 -0.838240 -0.603807
H -3.815853 -1.442075 0.753740


