%chk=000039256.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039256

0 1
 O  -0.8852000     -0.3190000       2.099200    
 O   0.2871000      -2.335000      0.3050000    
 N    1.284300     -0.3284000     -0.4361000    
 N    4.816000      -1.471200     -0.7242000    
 C  -0.7927000     -0.1582000      0.6974000    
 C  -0.2518000       1.190600      0.3032000    
 C   0.9650000       1.034200     -0.3632000    
 C   0.3003000      -1.118600      0.1778000    
 C   -2.110900     -0.4769000      8.0600001E-02
 C    2.474500     -0.8527000      -1.063100    
 C  -0.7822000       2.451500      0.5214000    
 C    1.681000       2.119100     -0.8387000    
 C    3.634200     -0.9134000     -7.9700001E-02
 C   -2.239200     -0.5267000      -1.308100    
 C   -3.219700     -0.7257000      0.8909000    
 C  -7.2600000E-02   3.557900      4.7800001E-02
 C    1.148200       3.392700     -0.6277000    
 C   0.3485000     -2.7600000E-02   2.747600    
 C   -3.473400     -0.8249000      -1.885500    
 C   -4.453900      -1.023900      0.3135000    
 C   -4.580800      -1.073600      -1.074700    
 C    5.923500      -1.570300      0.2165000    
 H    2.247400      -1.865900      -1.418100    
 H    2.720300     -0.2531000      -1.946900    
 H   -1.723400       2.583600       1.043900    
 H    2.627700       2.006900      -1.354300    
 H    3.850100      9.1600001E-02  0.3034000    
 H    3.346100      -1.532900      0.7791000    
 H   -1.393300     -0.3365000      -1.963200    
 H   -3.170300     -0.6918000       1.975100    
 H  -0.4676000       4.558200      0.2039000    
 H    1.684300       4.267300     -0.9863000    
 H   0.6300000       1.025900       2.668400    
 H    1.166500     -0.6810000       2.432200    
 H   0.1951000     -0.2222000       3.814600    
 H    5.089400     -0.8805000      -1.509000    
 H   -3.572500     -0.8632000      -2.966400    
 H   -5.317000      -1.216000      0.9442000    
 H   -5.541900      -1.305300      -1.524300    
 H    5.675000      -2.229900       1.054200    
 H    6.209100     -0.5876000      0.6060000    
 H    6.794600      -1.997200     -0.2903000    


%chk=000039256-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039256

0 1
O -1.065332 -0.002125 2.186500
O 0.303482 -2.251707 0.573843
N 1.268702 -0.324618 -0.399227
N 4.855837 -1.493358 -0.682777
C -0.835709 0.022959 0.729867
C -0.238832 1.331478 0.228896
C 0.990633 1.070712 -0.430890
C 0.280757 -1.023562 0.315757
C -2.166867 -0.381190 0.088939
C 2.458427 -0.975202 -0.961880
C -0.714034 2.644324 0.344939
C 1.757680 2.103668 -1.000918
C 3.682676 -0.903071 -0.016898
C -2.619719 0.196008 -1.122420
C -2.930192 -1.407833 0.699789
C 0.047468 3.703458 -0.217186
C 1.264354 3.428615 -0.885190
C 0.145910 0.168141 3.001443
C -3.829645 -0.238529 -1.709695
C -4.141229 -1.834520 0.114974
C -4.595764 -1.252796 -1.092136
C 6.008022 -1.765385 0.196829
H 2.212670 -2.034979 -1.141174
H 2.693844 -0.506363 -1.937290
H -1.658793 2.841991 0.862436
H 2.704477 1.905196 -1.513154
H 3.839561 0.152868 0.320214
H 3.461930 -1.500393 0.887401
H -2.034676 0.986291 -1.604933
H -2.568505 -1.853478 1.629798
H -0.307766 4.735862 -0.135330
H 1.841697 4.253045 -1.318699
H 0.654340 1.128310 2.783408
H 0.850989 -0.673486 2.852625
H -0.208808 0.167021 4.043599
H 5.125070 -0.971046 -1.526747
H -4.173220 0.216480 -2.645624
H -4.727859 -2.624328 0.597527
H -5.534975 -1.587777 -1.547004
H 5.720536 -2.515545 0.956110
H 6.399388 -0.869871 0.738367
H 6.833278 -2.194964 -0.397991


