%chk=000100494.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100494

0 1
 O    3.157200      -4.549300     -5.5199999E-02
 O   -6.108500       1.480400      6.1500002E-02
 N    1.017100      -2.729300      2.8800000E-02
 N   -3.580200      0.2562000     -2.7200000E-02
 N   -1.322400      -2.551200      9.8000001E-03
 N   -2.465600      -1.811700     -4.0000002E-03
 N   0.1314000       2.267200     -1.8100001E-02
 C    1.239200      -3.663500       1.137800    
 C    1.593600      -3.139100      -1.259200    
 C   -4.528400      7.9099998E-02  -1.132500    
 C   -4.183400      0.6224000       1.261700    
 C  -0.1260000      -1.923500      1.3900000E-02
 C   -2.381700     -0.4646000     -1.4100000E-02
 C   7.1000000E-03 -0.5393000      4.1999999E-03
 C   -1.169000      0.2167000     -1.0600000E-02
 C    2.714300      -4.043500       1.203700    
 C    3.049800      -3.546300      -1.065200    
 C   -5.471300       1.275400      -1.199000    
 C   -5.144100       1.789900       1.067400    
 C    1.243900      0.1171000      7.8999996E-03
 C   -1.049400       1.608400     -2.1199999E-02
 C    1.246900       1.503900     -3.5000001E-03
 C    2.487700       2.242500     -6.0000003E-04
 C    3.098300       2.590900      -1.207100    
 C    3.080600       2.610800       1.208700    
 C    4.296800       3.304500      -1.204300    
 C    4.279000       3.324500       1.211500    
 C    4.887000       3.671400      4.9999999E-03
 H   0.6300000      -4.560400      0.9729000    
 H   0.9367000      -3.214200       2.090700    
 H    1.539600      -2.328200      -1.994900    
 H    1.017100      -3.987900      -1.646900    
 H   -5.102700     -0.8397000     -0.9627000    
 H   -3.998400     -1.9400001E-02  -2.086900    
 H   -3.417100      0.9023000       1.993800    
 H   -4.726100     -0.2464000       1.653900    
 H    3.334700      -3.185500       1.490100    
 H    2.864900      -4.826500       1.953500    
 H    3.448300      -3.961800      -1.996200    
 H    3.672400      -2.685800     -0.7921000    
 H   -4.937600       2.188300      -1.490100    
 H   -6.251000       1.094900      -1.945600    
 H   -5.682000       1.989600       1.999500    
 H   -4.608900       2.706000      0.7897000    
 H    2.183000     -0.4285000      2.2900000E-02
 H   -1.913900       2.265000     -3.6400001E-02
 H    2.651200       2.313100      -2.158700    
 H    2.619500       2.348800       2.158200    
 H    4.770300       3.574700      -2.143600    
 H    4.738800       3.610300       2.153000    
 H    5.820100       4.227200      7.3000002E-03


%chk=000100494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100494

0 1
O 3.137041 -4.775743 0.037288
O -6.212960 1.570059 0.021962
N 1.036459 -2.787375 0.163728
N -3.617321 0.296690 -0.056036
N -1.308723 -2.512318 0.145647
N -2.462602 -1.741796 0.170444
N 0.235802 2.304289 -0.531147
C 0.806277 -4.161218 0.686562
C 2.009552 -2.813036 -0.969652
C -4.853780 -0.505539 -0.253662
C -3.876843 1.463612 0.835937
C -0.081031 -1.928881 0.084903
C -2.391829 -0.389090 -0.003034
C 0.079358 -0.485586 -0.013619
C -1.120408 0.292327 -0.167533
C 2.153730 -4.749525 1.137291
C 3.338170 -3.418367 -0.489729
C -5.943737 0.405558 -0.843033
C -4.978457 2.343518 0.222150
C 1.323905 0.202332 0.037519
C -0.950619 1.671117 -0.515384
C 1.378462 1.595057 -0.170515
C 2.637068 2.383669 -0.065349
C 2.676757 3.710804 -0.574998
C 3.810718 1.851488 0.537962
C 3.857394 4.477067 -0.496903
C 4.990717 2.619584 0.616824
C 5.021834 3.934954 0.096343
H 0.342939 -4.806236 -0.089451
H 0.100494 -4.109657 1.531781
H 2.169341 -1.798899 -1.369638
H 1.600592 -3.442764 -1.791354
H -5.194565 -0.942602 0.708544
H -4.632940 -1.344872 -0.932304
H -2.957688 2.048323 0.995122
H -4.223380 1.093863 1.826780
H 2.558979 -4.153705 1.983636
H 2.037107 -5.800734 1.448018
H 4.047559 -3.528894 -1.326400
H 3.785266 -2.769070 0.295591
H -5.634516 0.755287 -1.851690
H -6.903878 -0.130963 -0.916183
H -5.252694 3.165892 0.903194
H -4.630770 2.762034 -0.748009
H 2.232376 -0.364080 0.251572
H -1.816045 2.265792 -0.828004
H 1.765808 4.115109 -1.025412
H 3.805204 0.845362 0.971627
H 3.871199 5.496380 -0.898410
H 5.883669 2.196783 1.090476
H 5.939808 4.529901 0.158047


