%chk=000163702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163702

0 1
 N    3.786300      -1.631900     -0.3719000    
 N   -2.016900     -0.4026000      0.6310000    
 C    2.502900      -1.023300      3.7999999E-02
 C    2.387000      0.4056000     -0.6624000    
 C    1.242700      -1.922200     -0.2475000    
 C    1.092100       1.086800     -0.2399000    
 C  -2.2000000E-03  -1.168300      7.9999998E-02
 C   1.2700000E-02  0.2429000      6.3900001E-02
 C    3.640800       1.214400     -0.4445000    
 C    4.916500     -0.8386000      0.1554000    
 C   -1.241400      0.7138000      0.4040000    
 C    4.797500      0.6514000     -5.7000000E-02
 C   -1.275000      -1.549400      0.4336000    
 C   0.8166000       2.460900     -0.2215000    
 C    3.937600      -3.026800      4.3200001E-02
 C   -3.411600     -0.3908000       1.016100    
 C   -1.513800       2.079800      0.4572000    
 C  -0.4553000       2.942100      0.1310000    
 C    6.038100       1.459700      0.1824000    
 C   -4.381700     -0.3945000     -0.1683000    
 C   -5.851500     -0.3734000      0.2602000    
 C   -6.780700     -0.2970000     -0.9517000    
 C   -8.240700     -0.2385000     -0.5312000    
 H    2.523100     -0.8672000       1.130100    
 H    2.300400      0.2491000      -1.748300    
 H    1.275300      -2.833400      0.3602000    
 H    1.221300      -2.214700      -1.304300    
 H    3.616500       2.283100     -0.6345000    
 H    5.831200      -1.182900     -0.3439000    
 H    5.041900      -1.016800       1.232300    
 H   -1.717700      -2.527800      0.5639000    
 H    1.581100       3.185500     -0.4869000    
 H    3.799800      -3.153300       1.122900    
 H    4.933100      -3.402700     -0.2204000    
 H    3.228900      -3.674400     -0.4827000    
 H   -3.579500      0.4858000       1.651900    
 H   -3.583300      -1.272600       1.645500    
 H   -2.491500       2.467600      0.7187000    
 H  -0.6287000       4.016200      0.1421000    
 H    5.870700       2.530200      2.4400000E-02
 H    6.835700       1.142800     -0.4974000    
 H    6.384500       1.325100       1.212100    
 H   -4.196200      -1.279900     -0.7897000    
 H   -4.175800      0.4764000     -0.8037000    
 H   -6.076100      -1.272800      0.8460000    
 H   -6.028000      0.4906000      0.9125000    
 H   -6.544300      0.5922000      -1.547800    
 H   -6.624700      -1.170300      -1.595500    
 H   -8.887200     -0.1861000      -1.412800    
 H   -8.519400      -1.128400      4.2199999E-02
 H   -8.436100      0.6438000      8.6499996E-02


%chk=000163702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163702

0 1
N 3.795972 -1.630965 -0.336232
N -2.058398 -0.417146 0.765035
C 2.517511 -1.005906 0.109497
C 2.372796 0.373133 -0.631257
C 1.294557 -1.939433 -0.152657
C 1.092829 1.096615 -0.195861
C 0.020312 -1.193803 0.167184
C 0.017535 0.242474 0.132581
C 3.638441 1.194476 -0.484098
C 4.974663 -0.840453 0.091334
C -1.275403 0.717736 0.500176
C 4.835909 0.651189 -0.148279
C -1.263594 -1.572085 0.555518
C 0.838956 2.480406 -0.135859
C 3.977094 -3.047157 0.039829
C -3.491402 -0.415209 1.089409
C -1.534694 2.108994 0.548423
C -0.457561 2.966869 0.230813
C 6.100538 1.467736 0.022285
C -4.403962 -0.347563 -0.159411
C -5.904353 -0.338675 0.207245
C -6.824564 -0.270044 -1.033429
C -8.324982 -0.266355 -0.670422
H 2.544528 -0.790205 1.210802
H 2.249596 0.115345 -1.708633
H 1.374372 -2.856381 0.458840
H 1.322969 -2.252900 -1.217442
H 3.572923 2.274784 -0.668737
H 5.860026 -1.218067 -0.461488
H 5.202422 -0.999849 1.182876
H -1.691438 -2.560782 0.717912
H 1.622330 3.209206 -0.369542
H 3.955427 -3.223728 1.146209
H 4.959420 -3.388833 -0.334758
H 3.207237 -3.680855 -0.428426
H -3.700825 0.446656 1.751985
H -3.718751 -1.329826 1.669301
H -2.514037 2.518947 0.817879
H -0.620554 4.050661 0.262347
H 5.905463 2.546381 -0.105863
H 6.875082 1.169769 -0.712521
H 6.542514 1.318837 1.028128
H -4.181699 -1.212796 -0.814725
H -4.154481 0.561614 -0.740963
H -6.151163 -1.249018 0.793576
H -6.121734 0.526148 0.869042
H -6.580796 0.641504 -1.615948
H -6.603962 -1.130447 -1.697196
H -8.959330 -0.207157 -1.573729
H -8.603780 -1.185852 -0.121837
H -8.574957 0.597211 -0.025413


