%chk=000105253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105253

0 1
 O    2.651800       1.706600      3.0200001E-02
 O    4.388700      0.2087000     -0.1662000    
 N    3.452000      -2.102900      -1.350000    
 N   -5.411300       1.438000      -1.419900    
 C   -1.256100     -0.9616000       1.641300    
 C  -2.0600000E-02  -1.254900      0.8592000    
 C   -2.362500     -0.3227000      0.8261000    
 C   0.9895000     -0.2975000      0.7652000    
 C    2.144900     -0.5724000      3.3500001E-02
 C   0.1246000      -2.487000      0.2217000    
 C    2.290200      -1.804500     -0.6039000    
 C    1.280100      -2.761800     -0.5097000    
 C   -3.285900      -1.133700      0.1922000    
 C   -2.421900       1.056100      0.7357000    
 C   -4.304000     -0.5457000     -0.5583000    
 C   -3.440200       1.644000     -1.4700000E-02
 C   -4.381300      0.8432000     -0.6617000    
 C    3.181900      0.4487000     -4.5200001E-02
 C    3.574200       2.799400     -3.7400000E-02
 C    2.805800       4.100000      6.1799999E-02
 H   -1.014100     -0.3162000       2.497400    
 H   -1.631900      -1.883600       2.106900    
 H   0.8643000      0.6510000       1.282200    
 H  -0.6540000      -3.242400      0.2871000    
 H    1.380300      -3.726100      -1.001400    
 H   -3.234500      -2.215900      0.2674000    
 H   -1.694100       1.688000       1.236000    
 H   -5.031500      -1.180600      -1.057600    
 H   -3.489700       2.727500     -8.7600000E-02
 H    4.194700      -1.424600      -1.446200    
 H    3.537300      -3.001700      -1.806200    
 H    4.287200       2.725100      0.7910000    
 H    4.116100       2.759500     -0.9887000    
 H   -5.467000       2.444900      -1.496100    
 H   -6.093200      0.8578000      -1.890200    
 H    3.481600       4.958300      1.3800000E-02
 H    2.075400       4.178800     -0.7501000    
 H    2.243300       4.144400       1.000300    


%chk=000105253-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000105253

0 1
O 3.320618 1.799828 0.553600
O 4.526749 0.401090 -0.859418
N 3.307876 -1.809877 -1.762283
N -6.360683 0.079297 -1.437110
C -1.292843 -0.207323 1.376058
C -0.082051 -0.599780 0.532983
C -2.619750 -0.160247 0.617824
C 1.087000 0.176423 0.518772
C 2.239697 -0.191371 -0.237301
C -0.094159 -1.791583 -0.253226
C 2.217643 -1.404636 -1.017632
C 1.018248 -2.186659 -1.003464
C -3.786167 -0.771199 1.141017
C -2.738902 0.527856 -0.617890
C -5.025938 -0.698674 0.472313
C -3.967222 0.612272 -1.300047
C -5.137448 -0.000765 -0.763487
C 3.446532 0.648291 -0.230755
C 4.515661 2.691119 0.598350
C 4.133838 3.891125 1.459823
H -1.089698 0.781577 1.835026
H -1.401772 -0.916953 2.221504
H 1.138512 1.101896 1.101402
H -1.003300 -2.405043 -0.273733
H 0.982354 -3.108832 -1.596725
H -3.726772 -1.314779 2.093099
H -1.849908 0.999768 -1.054200
H -5.910886 -1.183410 0.903842
H -4.028115 1.152284 -2.253656
H 4.147840 -1.219235 -1.744007
H 3.267325 -2.666628 -2.307602
H 5.362982 2.120091 1.019832
H 4.778921 2.978523 -0.435771
H -6.437653 0.578724 -2.317703
H -7.195413 -0.353353 -1.053961
H 4.988580 4.588683 1.528955
H 3.277390 4.432508 1.022748
H 3.861012 3.573190 2.480723


