%chk=000020221.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020221

0 1
 O  -0.7920000       1.725000     -0.9274000    
 N  -9.4300002E-02 -0.4871000     -0.8776000    
 N   -3.365100      0.3831000      0.3993000    
 N    2.118000     -0.2193000       1.175100    
 C   -2.285600      -1.635200     -0.5495000    
 C   -1.364900     -0.8830000      -1.508600    
 C   -2.658900     -0.8532000      0.7131000    
 C   0.7668000      -1.558000     -0.4389000    
 C   -3.707600       1.106600       1.625200    
 C   -4.573100      0.1037000     -0.3792000    
 C   0.1061000      0.8958000     -0.7394000    
 C    1.714500      -1.429200      0.5903000    
 C    1.427800       1.484600     -0.4527000    
 C    2.277500       1.013600      0.5407000    
 C   0.5718000      -2.853700     -0.9818000    
 C   -2.467400       1.407400       2.449700    
 C   -5.283800       1.388400     -0.7697000    
 C    2.395100      -2.585300       1.052600    
 C    1.736800       2.683100      -1.128000    
 C    3.427400       1.769300      0.8535000    
 C    1.264200      -3.976600     -0.5235000    
 C    2.173500      -3.844400      0.5072000    
 C    2.884300       3.409100     -0.8159000    
 C    3.728900       2.955400      0.1855000    
 H   -1.821600      -2.565800     -0.2066000    
 H   -3.169500      -1.986300      -1.092300    
 H   -1.160900      -1.462000      -2.415500    
 H   -1.894200     -2.6000000E-03  -1.890100    
 H   -1.727600     -0.6639000       1.255300    
 H   -3.272000      -1.499500       1.355600    
 H   -4.147400       2.080500       1.387400    
 H   -4.431900      0.5554000       2.238000    
 H   -4.331300     -0.3748000      -1.331900    
 H   -5.265300     -0.5567000      0.1579000    
 H    2.654100     -0.3220000       2.031600    
 H  -0.1140000      -3.044900      -1.801700    
 H   -2.086400      0.5252000       2.973200    
 H   -1.665100       1.837400       1.840900    
 H   -2.714500       2.142500       3.224300    
 H   -5.815200       1.845300      7.0799999E-02
 H   -4.591000       2.122500      -1.195400    
 H   -6.039200       1.172400      -1.534000    
 H    3.134500      -2.495700       1.847900    
 H    1.078700       3.072800      -1.902200    
 H    4.117400       1.416500       1.618500    
 H    1.083900      -4.948100     -0.9736000    
 H    2.717500      -4.707100      0.8778000    
 H    3.108100       4.329900      -1.345500    
 H    4.624300       3.513200      0.4417000    


%chk=000020221-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000020221

0 1
O -0.325210 1.651929 -1.958641
N -0.084839 -0.469551 -1.044372
N -3.475736 0.267985 0.507725
N 1.612251 -0.303056 1.330195
C -2.273536 -1.660275 -0.590810
C -1.444903 -0.804823 -1.570919
C -2.605515 -0.917287 0.723752
C 0.757046 -1.560409 -0.626286
C -3.289266 1.328263 1.536408
C -4.906293 -0.105537 0.335190
C 0.348484 0.857806 -1.226452
C 1.513056 -1.508542 0.576909
C 1.560789 1.386478 -0.508264
C 2.046950 0.915690 0.748024
C 0.748154 -2.771244 -1.365885
C -1.950112 2.078735 1.406359
C -5.711682 0.933749 -0.468945
C 2.188712 -2.667822 1.036526
C 2.106763 2.588493 -1.036290
C 3.002200 1.690848 1.463483
C 1.423110 -3.921587 -0.907552
C 2.132031 -3.876958 0.314229
C 3.082768 3.329708 -0.347160
C 3.512763 2.886410 0.927631
H -1.754199 -2.607256 -0.347908
H -3.208965 -1.939754 -1.114396
H -1.364956 -1.302813 -2.557039
H -1.953605 0.158386 -1.733226
H -1.657404 -0.577757 1.177898
H -3.066077 -1.639262 1.445000
H -4.109836 2.058301 1.411417
H -3.393184 0.910516 2.572281
H -4.942002 -1.069357 -0.206119
H -5.399867 -0.284968 1.325559
H 1.950153 -0.443356 2.286418
H 0.185289 -2.815034 -2.303307
H -1.081172 1.422666 1.596094
H -1.843057 2.494496 0.389663
H -1.905976 2.908193 2.137105
H -5.749530 1.913227 0.040821
H -5.248947 1.087022 -1.459397
H -6.753804 0.590407 -0.610769
H 2.768327 -2.610198 1.966742
H 1.696616 2.945385 -1.986060
H 3.357303 1.332154 2.438296
H 1.388731 -4.843618 -1.496915
H 2.650664 -4.764484 0.691347
H 3.486441 4.249834 -0.780938
H 4.252469 3.462566 1.494680


