%chk=000039649.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039649

0 1
 O    1.813900     -0.7150000     -3.5700001E-02
 O  -0.4658000       1.756900      -1.156900    
 N   -4.485900     -4.2500000E-02  9.7499996E-02
 N  -0.8449000     -0.4541000     -0.5702000    
 C   -3.060000     -6.0400002E-02  0.3970000    
 C   -2.265100     -0.4575000     -0.8383000    
 C   -5.254800      0.3757000       1.271400    
 C   -4.934400      -1.359500     -0.3593000    
 C   -4.806200       1.741300       1.763600    
 C   -6.405400      -1.337400     -0.7386000    
 C   3.8999999E-03  0.6638000     -0.7423000    
 C    1.389100      0.5046000     -0.4572000    
 C    3.596000      0.6707000     -0.1230000    
 C    3.157700     -0.6169000      0.1687000    
 C    2.440300       1.389200     -0.5277000    
 C    4.962100      0.9656000      2.8700000E-02
 C    3.990300      -1.645600      0.6057000    
 C    5.824400     -4.8900001E-02  0.4670000    
 C    5.344700      -1.330200      0.7496000    
 H   -2.829100     -0.7414000       1.227200    
 H   -2.699600      0.9323000      0.6876000    
 H   -2.468900      0.2215000      -1.674000    
 H   -2.463900      -1.481200      -1.163400    
 H   -6.314300      0.4862000       1.018700    
 H   -5.182300     -0.3520000       2.089500    
 H   -4.424900      -1.656400      -1.279500    
 H   -4.752800      -2.140000      0.3901000    
 H  -0.4317000      -1.318600     -0.2314000    
 H   -3.852600       1.701700       2.299300    
 H   -4.728100       2.464900      0.9448000    
 H   -5.543200       2.133600       2.473700    
 H   -7.062800      -1.311500      0.1358000    
 H   -6.644800     -0.4898000      -1.390000    
 H   -6.656700      -2.251600      -1.288500    
 H    2.387000       2.425300     -0.8326000    
 H    5.349500       1.956700     -0.1872000    
 H    3.610900      -2.636900      0.8228000    
 H    6.883100      0.1661000      0.5884000    
 H    6.037200      -2.097100       1.087900    


%chk=000039649-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039649

0 1
O 1.887933 -0.692515 -0.404512
O -0.700690 1.803839 0.323313
N -4.516649 -0.436753 0.221963
N -0.811738 -0.312145 -0.675012
C -3.059009 -0.614352 0.422679
C -2.270571 -0.261335 -0.870057
C -5.075220 0.741171 0.936079
C -5.315948 -1.677837 0.392597
C -4.503676 2.083461 0.439416
C -6.663572 -1.644455 -0.355725
C -0.135272 0.733683 -0.078321
C 1.327468 0.540251 0.064858
C 3.569827 0.652834 0.467728
C 3.272630 -0.602211 -0.146566
C 2.308449 1.359094 0.589944
C 4.916572 0.941717 0.809073
C 4.232554 -1.580451 -0.438891
C 5.901377 -0.026282 0.524922
C 5.566281 -1.268260 -0.089498
H -2.829271 -1.659024 0.714619
H -2.683549 0.035647 1.239092
H -2.549316 0.759840 -1.178226
H -2.550185 -0.954116 -1.682762
H -6.169138 0.743032 0.779950
H -4.907333 0.655548 2.041385
H -4.716029 -2.515077 -0.011684
H -5.498392 -1.909122 1.474239
H -0.279478 -1.138945 -0.954373
H -3.410489 2.153065 0.585360
H -4.718791 2.217225 -0.636107
H -4.970012 2.918954 0.994409
H -7.345071 -0.873728 0.046615
H -6.497280 -1.428782 -1.425802
H -7.175758 -2.620572 -0.264312
H 2.128134 2.346502 1.008469
H 5.184544 1.892359 1.281201
H 3.963242 -2.529245 -0.910801
H 6.947397 0.175025 0.779533
H 6.357931 -1.996442 -0.295596


