%chk=000116598.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116598

1 1
 N   -2.481700     -0.1965000      2.0199999E-02
 N    1.040000       1.028400     -0.5346000    
 C   -1.067600      0.2284000      0.3891000    
 C   -3.180300      0.9429000     -0.7077000    
 C   -3.254500     -0.5396000       1.285600    
 C   -2.424300      -1.417800     -0.8861000    
 C  -0.2888000      0.5728000     -0.8680000    
 C   -3.234400       2.153900      0.1979000    
 C   -2.555400      -1.672500       2.004700    
 C   -3.832600      -1.835400      -1.249100    
 C    1.293200       2.469100     -0.4814000    
 C    2.079800      0.1240000     -0.2776000    
 C    1.267900       2.951100      0.9564000    
 C    3.362300      0.5911000      3.0300001E-02
 C    1.844700      -1.254500     -0.3272000    
 C    4.397000     -0.3090000      0.2853000    
 C    2.879300      -2.154600     -7.1999997E-02
 C    4.155400      -1.681700      0.2342000    
 H   -1.101300       1.031400       1.128600    
 H  -0.5753000     -0.6184000      0.8708000    
 H   -2.715100       1.134400      -1.677200    
 H   -4.218500      0.6526000     -0.8929000    
 H   -3.225800      0.3206000       1.960200    
 H   -4.301700     -0.7490000       1.054900    
 H   -1.938000      -1.139100      -1.824300    
 H   -1.834700      -2.215000     -0.4274000    
 H  -0.2192000     -0.2341000      -1.600400    
 H  -0.7744000       1.384100      -1.414900    
 H   -3.740300       2.958000     -0.3525000    
 H   -3.831900       2.017600       1.101600    
 H   -2.257000       2.564100      0.4593000    
 H   -3.147800      -1.913600       2.897200    
 H   -2.504900      -2.605800       1.441000    
 H   -1.565800      -1.419800       2.391300    
 H   -3.760800      -2.718800      -1.897100    
 H   -4.440100      -2.157300     -0.4011000    
 H   -4.383400      -1.101100      -1.840500    
 H   0.5137000       3.012500      -1.030300    
 H    2.222500       2.747400     -0.9907000    
 H   0.2771000       2.819700       1.401100    
 H    1.985700       2.431400       1.596600    
 H    1.501800       4.020300      0.9937000    
 H    3.619800       1.643000      8.6199999E-02
 H   0.8779000      -1.686500     -0.5613000    
 H    5.391100      5.7999998E-02  0.5238000    
 H    2.692400      -3.223800     -0.1120000    
 H    4.961000      -2.382600      0.4326000    


%chk=000116598-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116598

1 1
N -2.452318 -0.193177 0.020973
N 1.121331 1.220563 -0.554609
C -1.022952 0.352054 0.276799
C -3.311328 0.848543 -0.742148
C -3.123220 -0.490554 1.390915
C -2.343838 -1.484465 -0.836975
C -0.254268 0.925370 -0.951715
C -3.447676 2.218355 -0.065100
C -2.476093 -1.612780 2.211483
C -3.661637 -2.225507 -1.094506
C 1.494881 2.635358 -0.325458
C 2.044398 0.163407 -0.331845
C 1.253537 3.151734 1.112828
C 3.300772 0.406124 0.300081
C 1.754112 -1.174955 -0.741016
C 4.225236 -0.639924 0.492619
C 2.689202 -2.213030 -0.539799
C 3.932045 -1.959702 0.079633
H -1.111628 1.131692 1.050201
H -0.438758 -0.484557 0.692815
H -2.851626 0.949280 -1.739941
H -4.304347 0.388694 -0.872828
H -3.090250 0.458075 1.950424
H -4.179872 -0.720747 1.173424
H -1.887114 -1.174340 -1.791744
H -1.624845 -2.135638 -0.313723
H -0.276777 0.219667 -1.805524
H -0.720475 1.864065 -1.296699
H -4.035526 2.866397 -0.738908
H -3.994469 2.176300 0.890890
H -2.479184 2.719383 0.099983
H -3.037954 -1.699869 3.158202
H -2.528155 -2.596173 1.716051
H -1.427951 -1.402872 2.480394
H -3.426372 -3.124020 -1.692055
H -4.149002 -2.575033 -0.169539
H -4.386221 -1.636827 -1.680861
H 0.925902 3.258760 -1.041825
H 2.557917 2.760512 -0.596815
H 0.177549 3.147343 1.372475
H 1.788626 2.535798 1.856204
H 1.611319 4.192795 1.209952
H 3.564761 1.407894 0.649887
H 0.824833 -1.413975 -1.270055
H 5.183166 -0.418597 0.975724
H 2.446414 -3.224679 -0.884370
H 4.654857 -2.766444 0.232402


