%chk=000101321.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101321

0 1
 O  -0.4553000     -0.4170000      -1.843800    
 N   0.2512000      5.4900002E-02  0.3432000    
 C    1.663000      3.6200002E-02  0.2286000    
 C    2.345700      -1.154000      0.4269000    
 C    2.336000       1.208400     -7.9099998E-02
 C    3.735900      -1.172400      0.3147000    
 C    3.726100       1.190000     -0.1914000    
 C    4.426200     -3.9999999E-04  5.5999998E-03
 C    1.634600      -2.425800      0.7591000    
 C    1.614500       2.499000     -0.2960000    
 C  -0.7085000     -0.1631000     -0.6551000    
 C   -2.096700     -5.0700001E-02 -0.2368000    
 C   -3.089300     -0.7574000     -0.9156000    
 C   -2.435600      0.7640000      0.8434000    
 C   -4.420900     -0.6493000     -0.5144000    
 C   -3.767100      0.8722000       1.244800    
 C   -4.759800      0.1654000      0.5658000    
 H  -6.5700002E-02  4.5000002E-02   1.309900    
 H    4.297200      -2.091000      0.4640000    
 H    4.280000       2.093500     -0.4324000    
 H    5.508700     -1.4800000E-02 -8.2300000E-02
 H    1.025200      -2.302500       1.660600    
 H   0.9923000      -2.732600     -7.2800003E-02
 H    2.334700      -3.245800      0.9532000    
 H    2.307900       3.335100     -0.4377000    
 H   0.9848000       2.438300      -1.189600    
 H   0.9904000       2.742200      0.5706000    
 H   -2.846300      -1.401800      -1.756500    
 H   -1.698300       1.354600       1.379900    
 H   -5.193800      -1.200200      -1.042400    
 H   -4.032500       1.512000       2.081400    
 H   -5.796700      0.2508000      0.8773000    


%chk=000101321-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101321

0 1
O -0.381940 0.428312 -1.843237
N 0.263960 -0.025161 0.366350
C 1.690926 -0.012037 0.197440
C 2.418287 -1.160551 0.635989
C 2.356409 1.130857 -0.335985
C 3.826579 -1.159039 0.516292
C 3.768537 1.080311 -0.453271
C 4.502549 -0.048817 -0.035648
C 1.693798 -2.368802 1.205016
C 1.607373 2.381627 -0.743005
C -0.688903 0.204781 -0.633080
C -2.124199 0.143749 -0.170424
C -3.112678 -0.160283 -1.141389
C -2.522066 0.401628 1.168496
C -4.472585 -0.233446 -0.776719
C -3.885383 0.332458 1.531677
C -4.862664 0.007483 0.562611
H -0.084882 -0.437556 1.234957
H 4.391614 -2.039121 0.844959
H 4.292426 1.950205 -0.866318
H 5.593758 -0.061989 -0.132040
H 1.218968 -2.153979 2.184768
H 0.895627 -2.720633 0.524960
H 2.395868 -3.203634 1.366420
H 2.297049 3.236889 -0.843428
H 1.085625 2.226401 -1.705053
H 0.829207 2.645522 -0.002456
H -2.788611 -0.327207 -2.173897
H -1.783240 0.701792 1.921612
H -5.227919 -0.474987 -1.532444
H -4.185927 0.543818 2.563817
H -5.919664 -0.045792 0.846129


