%chk=000122107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122107

0 1
 O   -1.471200     -0.2256000      0.9863000    
 O   -2.432100      -2.807800      0.4843000    
 O    1.552600       2.490300      0.4244000    
 O    4.435200      -1.028800     -0.3181000    
 N   0.6458000      0.3524000      0.1704000    
 N   -3.539900       1.847000     -3.3300001E-02
 N    2.986500      0.7367000      5.3800002E-02
 C   -2.842800      0.7453000     -0.7013000    
 C   -1.396800       1.107200     -0.9813000    
 C   -2.694800     -0.4376000      0.2557000    
 C  -0.7065000      0.8006000      0.3372000    
 C   -2.576200      -1.772300     -0.4743000    
 C    1.708200       1.282700      0.2307000    
 C   0.9058000     -0.9941000     -4.9699999E-02
 C    2.129600      -1.499700     -0.2165000    
 C    3.296600     -0.5960000     -0.1683000    
 H   -3.392100      0.4885000      -1.612700    
 H   -1.013700      0.4691000      -1.788000    
 H   -1.243300       2.142900      -1.303100    
 H   -3.510400     -0.4986000      0.9861000    
 H  -0.7293000       1.681400      0.9899000    
 H   -1.727100      -1.814500      -1.159400    
 H   -3.480500      -1.973800      -1.058300    
 H   -4.500200       1.570600      0.1668000    
 H   -3.595600       2.646000     -0.6636000    
 H   7.0799999E-02  -1.675500     -7.5800002E-02
 H   -3.223000      -2.799800       1.049900    
 H    3.766700       1.386600      9.3099996E-02
 H    2.296400      -2.557100     -0.3816000    


%chk=000122107-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122107

0 1
O -1.589188 -0.182468 1.027657
O -2.017508 -2.834862 0.143753
O 1.437297 2.468206 0.036576
O 4.502319 -1.060759 -0.289379
N 0.629693 0.267532 0.213280
N -3.622397 1.883274 -0.022913
N 2.937186 0.666004 -0.096738
C -2.917203 0.808582 -0.733748
C -1.433633 1.204108 -0.947130
C -2.779679 -0.439742 0.178117
C -0.749725 0.828721 0.394231
C -2.619267 -1.746593 -0.632689
C 1.662403 1.223472 0.052406
C 0.878726 -1.104023 0.199757
C 2.145383 -1.611755 0.029419
C 3.293656 -0.724446 -0.132226
H -3.384061 0.519716 -1.706429
H -0.989382 0.624026 -1.775064
H -1.304452 2.274579 -1.171063
H -3.621125 -0.531155 0.891338
H -0.654485 1.697588 1.063815
H -1.932725 -1.608792 -1.485557
H -3.613304 -2.044003 -1.030956
H -4.576351 1.666247 0.276760
H -3.539589 2.810148 -0.447548
H 0.002353 -1.743045 0.356440
H -2.452727 -2.893833 1.031866
H 3.704429 1.336762 -0.207945
H 2.322056 -2.687386 0.027269


