%chk=000143694.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000143694

0 1
 O   0.8219000       2.282000      0.4514000    
 N    1.748700      0.1674000      9.7599998E-02
 N  -0.5686000      0.5521000     -0.2665000    
 C   -3.001600      0.2707000     -0.3419000    
 C   -1.854700      0.9121000      0.1538000    
 C   -4.276100      0.6781000      0.1195000    
 C    1.504900      -1.234300      0.3161000    
 C    3.088300      0.6400000     -0.1628000    
 C   0.6669000       1.100000      0.1370000    
 C   -1.962600       1.940300       1.090600    
 C   -2.911900     -0.7660000      -1.285200    
 C   -4.366000       1.714600       1.062900    
 C   -5.423100      3.6899999E-02 -0.3759000    
 C   -3.215800       2.340700       1.544500    
 C   -4.062100      -1.391700      -1.766700    
 C   -5.315300     -0.9911000      -1.313000    
 C    2.326100      -2.144400     -0.3032000    
 C    4.137800     -5.0400000E-02  0.3868000    
 C   0.4631000      -1.596700       1.134200    
 C    3.242300       1.754300     -0.9468000    
 C    2.090300      -3.502800     -9.1300003E-02
 C    5.431700      0.4056000      0.1352000    
 C   0.2274000      -2.955100       1.346100    
 C    4.536400       2.210200      -1.198500    
 C    1.041100      -3.908100      0.7333000    
 C    5.631000       1.535700     -0.6575000    
 H  -0.4922000     -0.2352000     -0.8996000    
 H   -1.115500       2.447600       1.533800    
 H   -1.968600      -1.126400      -1.682500    
 H   -5.335100       2.042800       1.433000    
 H   -6.412900      0.3336000     -3.5300002E-02
 H   -3.300100       3.135600       2.279900    
 H   -3.979700      -2.192000      -2.496500    
 H   -6.210300      -1.478800      -1.688300    
 H    3.102100      -1.881900      -1.014500    
 H    4.030800     -0.8840000       1.072700    
 H  -0.1415000     -0.8913000       1.693400    
 H    2.416900       2.277800      -1.417100    
 H    2.712600      -4.245600     -0.5819000    
 H    6.283700     -0.1086000      0.5706000    
 H  -0.5789000      -3.271000       2.001800    
 H    4.692600       3.085100      -1.822900    
 H   0.8574000      -4.965700      0.8983000    
 H    6.638400       1.891800     -0.8518000    


%chk=000143694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000143694

0 1
O 0.809215 2.303414 0.568564
N 1.728845 0.176215 0.103768
N -0.609878 0.507278 0.007592
C -3.047366 0.246110 -0.107700
C -1.894366 1.098564 0.133543
C -4.370475 0.833600 -0.015385
C 1.516725 -1.255692 0.052594
C 3.088148 0.664662 0.039118
C 0.637242 1.090103 0.260056
C -2.074669 2.451580 0.468038
C -2.951457 -1.150222 -0.431316
C -4.516516 2.218088 0.324689
C -5.520744 0.012535 -0.262207
C -3.386801 2.999338 0.564975
C -4.091395 -1.924787 -0.664619
C -5.391976 -1.339040 -0.583633
C 1.948786 -1.991845 -1.080406
C 4.127967 -0.105387 0.621420
C 0.899053 -1.931324 1.137703
C 3.404671 1.880257 -0.620898
C 1.759343 -3.389878 -1.127886
C 5.466954 0.332135 0.538557
C 0.698191 -3.328570 1.076419
C 4.745333 2.313641 -0.687249
C 1.129158 -4.062707 -0.053583
C 5.785104 1.544880 -0.114081
H -0.591223 -0.466063 -0.299207
H -1.198040 3.075076 0.648624
H -1.980240 -1.656964 -0.493090
H -5.522844 2.646430 0.393040
H -6.513246 0.473369 -0.190849
H -3.493876 4.057279 0.828121
H -3.987051 -2.987527 -0.908756
H -6.279497 -1.953181 -0.770158
H 2.434240 -1.463155 -1.907164
H 3.888732 -1.039155 1.140205
H 0.587258 -1.361299 2.019533
H 2.609479 2.487661 -1.058030
H 2.096477 -3.952045 -2.005511
H 6.259145 -0.272756 0.993722
H 0.219407 -3.842869 1.916719
H 4.977185 3.256505 -1.195016
H 0.980768 -5.147055 -0.094728
H 6.824034 1.886702 -0.172725


