%chk=000203475.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203475

0 1
N 1.506063 -0.255701 -1.295006
N -1.429575 0.166743 -1.097725
N -4.280390 -0.071193 2.042056
C 0.840564 0.959487 -1.838088
C 0.548474 -1.401545 -1.139867
C -0.469692 1.316424 -1.109420
C -0.856099 -1.075255 -1.683143
C 2.430488 -0.082060 -0.212203
C -2.312922 0.065724 0.001737
C 2.873052 1.194359 0.195590
C 3.007994 -1.229080 0.380717
C -2.690843 1.219204 0.731972
C -2.947310 -1.157824 0.328277
C 3.864914 1.313872 1.169588
C 3.994870 -1.088353 1.354909
C -3.666849 1.101326 1.726326
C -3.913390 -1.175940 1.337270
C 4.427824 0.179036 1.758840
H 0.649341 0.766498 -2.920119
H 1.537312 1.828007 -1.807530
H 0.465205 -1.721659 -0.076296
H 0.979365 -2.256610 -1.709956
H -0.234100 1.654650 -0.073810
H -0.976003 2.161478 -1.629629
H -0.826268 -0.930463 -2.789171
H -1.536171 -1.941154 -1.508337
H 2.454656 2.094166 -0.249539
H 2.709539 -2.225651 0.067571
H -2.255962 2.190428 0.525477
H -2.699168 -2.073930 -0.201030
H 4.199451 2.305375 1.474542
H 4.435246 -1.978513 1.804436
H -3.983735 1.975978 2.307632
H -4.424556 -2.107115 1.610155
H 5.195675 0.278892 2.520573


%chk=000203475-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203475

0 1
N 1.460018 -0.003022 0.004983
N -1.461530 0.004116 -0.014818
N -5.750952 0.012164 -0.033219
C 0.695651 1.214943 -0.308356
C 0.685337 -1.217689 0.305774
C -0.687358 1.199200 0.372909
C -0.687793 -1.193663 -0.394740
C 2.864996 -0.005983 0.017472
C -2.854451 0.006673 -0.021005
C 3.610534 1.081730 -0.536595
C 3.595808 -1.096949 0.584683
C -3.612454 1.080791 0.547190
C -3.611678 -1.064470 -0.595687
C 5.019850 1.072503 -0.515364
C 5.005268 -1.093806 0.588720
C -5.018554 1.032871 0.510875
C -5.017881 -1.011237 -0.571167
C 5.734742 -0.012194 0.043148
H 0.565107 1.350908 -1.405067
H 1.243413 2.098574 0.069597
H 0.538688 -1.354457 1.400359
H 1.234110 -2.103510 -0.065703
H -0.559183 1.256915 1.475351
H -1.231097 2.106814 0.052041
H -0.544381 -1.249452 -1.495398
H -1.240291 -2.099345 -0.083765
H 3.094339 1.922329 -1.010879
H 3.067437 -1.935269 1.049468
H -3.125646 1.929634 1.035172
H -3.124123 -1.915116 -1.079773
H 5.563199 1.918651 -0.952326
H 5.537124 -1.942274 1.035212
H -5.600993 1.852713 0.948521
H -5.599626 -1.828917 -1.013769
H 6.829368 -0.014577 0.052957


