%chk=000121848.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121848

0 1
 O  -0.4812000     -0.1932000      0.1910000    
 O   -2.398300      -1.857300       1.312900    
 N   -4.707900      0.3451000     -0.5635000    
 N   0.3744000      0.9156000      0.2529000    
 C   -6.104800      0.6976000     -0.3489000    
 C   -4.230700     -0.5524000      0.4797000    
 C   -2.760600     -0.9309000      0.2850000    
 C   -6.958600     -0.5754000     -0.3761000    
 C   -6.244000       1.386500       1.012700    
 C   -6.564300       1.648000      -1.460600    
 C    3.891900      0.4378000     -9.8399997E-02
 C    3.391000     -0.9184000     -0.1765000    
 C   -1.815000      0.2665000      0.3502000    
 C    2.810800       1.319200      7.5400002E-02
 C    1.989500     -0.9023000     -5.2600000E-02
 C    1.585700      0.5054000      0.1093000    
 C    5.180300      0.9385000     -0.1661000    
 C    4.052900      -2.122500     -0.3428000    
 C    2.962200       2.687300      0.1850000    
 C    1.219700      -2.048400     -8.8600002E-02
 C    5.360200       2.323000     -5.7399999E-02
 C    3.292600      -3.297300     -0.3823000    
 C    4.262700       3.187500      0.1162000    
 C    1.891300      -3.259900     -0.2565000    
 H   -4.590400     -9.6500002E-02  -1.475200    
 H   -4.306700     -0.1133000       1.479800    
 H   -4.785900      -1.496000      0.5054000    
 H   -2.622300      -1.458500     -0.6660000    
 H   -6.844900      -1.199200      0.5166000    
 H   -8.023800     -0.3157000     -0.4234000    
 H   -6.744300      -1.190100      -1.258600    
 H   -5.501000       2.182600       1.142200    
 H   -6.170700      0.7000000       1.862700    
 H   -7.230600       1.859200       1.098700    
 H   -6.475500       1.180200      -2.448200    
 H   -7.612200       1.940000      -1.327200    
 H   -5.964600       2.565800      -1.471800    
 H   -1.898100      0.7623000       1.325100    
 H   -2.044500      0.9892000     -0.4409000    
 H    6.037700      0.2875000     -0.2995000    
 H    5.132300      -2.169700     -0.4414000    
 H    2.115600       3.350200      0.3185000    
 H   0.1493000      -2.135200     -9.9999997E-05
 H   -2.483200      -1.403200       2.168700    
 H    6.363400       2.738600     -0.1078000    
 H    3.791200      -4.254500     -0.5119000    
 H    4.433500       4.257800      0.1974000    
 H    1.328900      -4.189600     -0.2904000    


%chk=000121848-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121848

0 1
O -0.649368 -0.628553 0.363573
O -2.725458 -2.513991 1.234772
N -4.775159 0.123399 -0.525338
N 0.231690 0.523527 0.352068
C -6.025471 0.939945 -0.373639
C -4.449211 -0.877707 0.512495
C -2.971408 -1.330779 0.389744
C -7.299455 0.058581 -0.207361
C -5.875886 1.886230 0.844247
C -6.144351 1.786952 -1.664178
C 3.806901 0.531598 -0.159932
C 3.552558 -0.924540 -0.222147
C -2.017090 -0.175154 0.692367
C 2.559287 1.194469 0.065885
C 2.146583 -1.155007 -0.037693
C 1.489692 0.163632 0.146034
C 4.994477 1.279058 -0.280453
C 4.432114 -2.005505 -0.414370
C 2.487728 2.595164 0.171528
C 1.623492 -2.465712 -0.041304
C 4.924998 2.690639 -0.173323
C 3.904423 -3.321660 -0.419913
C 3.685504 3.342279 0.050294
C 2.518627 -3.548252 -0.234101
H -4.741373 -0.300467 -1.464566
H -4.604486 -0.418772 1.508569
H -5.071061 -1.801336 0.480410
H -2.776462 -1.702113 -0.632903
H -7.229400 -0.579844 0.692497
H -8.203742 0.686852 -0.103993
H -7.439195 -0.599574 -1.086110
H -4.943400 2.470991 0.756455
H -5.852378 1.332003 1.800611
H -6.730393 2.585228 0.890405
H -6.236305 1.138530 -2.557699
H -7.037926 2.434876 -1.625837
H -5.249908 2.422295 -1.789460
H -2.054980 0.109837 1.765273
H -2.282890 0.699456 0.073907
H 5.957501 0.786283 -0.454222
H 5.506086 -1.841474 -0.555853
H 1.527356 3.090783 0.342698
H 0.555017 -2.636655 0.104579
H -2.668617 -2.227448 2.182416
H 5.839616 3.287186 -0.264886
H 4.576515 -4.174494 -0.568328
H 3.655713 4.434613 0.129167
H 2.132496 -4.573468 -0.239687


