%chk=000115437.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115437

0 1
 O    4.316200       1.304800      -1.281200    
 N    2.976400      0.4061000      0.3666000    
 N   0.1348000      0.1900000      0.3040000    
 C    2.181200       1.586100      0.6537000    
 C    2.342600     -0.6785000       1.101400    
 C    1.986800       1.480000       2.172700    
 C    2.092100     -2.9999999E-02   2.471400    
 C   0.8467000       1.417900     -0.1082000    
 C    1.017900     -0.9936000      0.3685000    
 C   -1.032000     -5.8699999E-02 -0.5354000    
 C    3.980700      0.3524000     -0.5753000    
 C   -2.041600       1.078100     -0.4769000    
 C   -1.677900      -1.405500     -0.2454000    
 C    4.685000     -0.9734000     -0.7008000    
 C   -2.827000       1.330600      -1.583200    
 C   -1.253000      -2.514700     -0.9483000    
 C   -2.142200       1.822500      0.6809000    
 C   -2.669100      -1.478100      0.7122000    
 C    5.731100     -0.9018000      -1.787100    
 C   -3.752700       2.372700      -1.529700    
 C   -1.844900      -3.749400     -0.6824000    
 C   -3.068100       2.864500      0.7344000    
 C   -3.260900      -2.712900      0.9781000    
 C   -3.873400       3.139500     -0.3709000    
 C   -2.848800      -3.848600      0.2807000    
 H    2.690900       2.506100      0.3518000    
 H    2.970100      -1.570200       1.172200    
 H    1.041400       1.911900       2.515900    
 H    2.797900       2.003300       2.693400    
 H    2.950100     -0.2031000       3.132100    
 H    1.202700     -0.4213000       2.975500    
 H   0.2618000       2.323600      7.2200000E-02
 H    1.065600       1.381700      -1.184500    
 H    1.270300      -1.346000     -0.6397000    
 H   0.5457000      -1.805800      0.9316000    
 H  -0.6840000     -9.6600004E-02  -1.580600    
 H    5.155600      -1.221800      0.2562000    
 H    3.955000      -1.750200     -0.9503000    
 H   -2.741500      0.7380000      -2.489100    
 H  -0.4860000      -2.451700      -1.714000    
 H   -1.554400       1.617400       1.570300    
 H   -3.003300     -0.6282000       1.295000    
 H    6.240600      -1.865900      -1.884500    
 H    6.490500     -0.1443000      -1.564400    
 H    5.286100     -0.6594000      -2.758200    
 H   -4.380400       2.586200      -2.389900    
 H   -1.526800      -4.632900      -1.227900    
 H   -3.167300       3.457200       1.639100    
 H   -4.038900      -2.791800       1.732000    
 H   -4.595600       3.949600     -0.3285000    
 H   -3.309300      -4.810000      0.4881000    


%chk=000115437-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115437

0 1
O 4.548275 1.486808 -1.077324
N 3.066317 0.420551 0.348184
N 0.188355 0.129321 0.137360
C 2.172622 1.584765 0.565057
C 2.365585 -0.698463 1.024186
C 1.858457 1.471864 2.086233
C 1.981250 -0.061118 2.394829
C 0.904255 1.366911 -0.298741
C 1.107455 -1.042024 0.182670
C -1.043803 -0.125550 -0.668459
C 4.173718 0.426824 -0.479203
C -2.036831 1.045725 -0.567365
C -1.740817 -1.429512 -0.243202
C 4.927388 -0.908810 -0.616101
C -2.798623 1.416716 -1.701113
C -2.086761 -2.396946 -1.216248
C -2.255667 1.728353 0.655743
C -2.083167 -1.670935 1.112006
C 6.201566 -0.770098 -1.468055
C -3.767803 2.442185 -1.617503
C -2.766417 -3.582013 -0.849512
C -3.218189 2.756954 0.742189
C -2.754321 -2.855015 1.483301
C -3.982129 3.116044 -0.393542
C -3.102161 -3.815394 0.502879
H 2.686152 2.510889 0.265198
H 3.006734 -1.588496 1.121088
H 0.849121 1.855416 2.310504
H 2.592836 2.054290 2.668973
H 2.774820 -0.253764 3.137882
H 1.035000 -0.482187 2.773999
H 0.222942 2.227630 -0.192413
H 1.214191 1.308648 -1.371071
H 1.441971 -1.349060 -0.841434
H 0.576306 -1.897626 0.632330
H -0.775426 -0.238339 -1.751583
H 5.180849 -1.291211 0.393254
H 4.246766 -1.659379 -1.068005
H -2.635912 0.898446 -2.654706
H -1.822604 -2.224107 -2.267127
H -1.651311 1.455857 1.528447
H -1.812424 -0.929493 1.871634
H 6.701224 -1.749553 -1.580337
H 6.909009 -0.062001 -1.004474
H 5.959788 -0.374781 -2.468697
H -4.349467 2.717103 -2.504670
H -3.028608 -4.320553 -1.615514
H -3.373786 3.279183 1.693261
H -3.011643 -3.028906 2.534458
H -4.730691 3.913471 -0.326460
H -3.627693 -4.732817 0.790794


