%chk=000262928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262928

0 1
N 5.782324 -0.216704 0.111111
N -3.209008 -0.469252 1.174673
N -2.787757 -0.070633 -1.045847
C 4.386305 -0.073900 -0.030824
C 6.477499 0.411152 1.264927
C 6.632316 -0.413138 -1.098519
C -4.457347 -0.251943 0.568110
C -2.223636 -0.347410 0.145992
C 1.565510 0.025844 -0.251283
C -0.786244 -0.506881 0.415471
C -4.177527 -0.004388 -0.821336
C 3.590355 0.387036 1.047531
C 3.737184 -0.475227 -1.226644
C 0.106551 0.090347 -0.396705
C 2.204464 0.426865 0.932460
C 2.352385 -0.417930 -1.328585
C -5.766755 -0.246433 1.076477
C -6.794212 0.009424 0.175387
C 6.639406 1.926412 1.133688
C 6.936818 -1.900722 -1.283187
C -5.238536 0.251195 -1.711098
C -6.524897 0.254876 -1.204269
C -0.423486 -1.362148 1.587315
C -8.216415 0.032927 0.636555
H 5.913008 0.164916 2.194856
H 7.472744 -0.077063 1.371164
H 6.131664 -0.007912 -2.007637
H 7.581377 0.157809 -0.994449
H -3.047334 -0.664366 2.142869
H 4.054258 0.707015 1.976702
H 4.315477 -0.838372 -2.072383
H -0.238421 0.673689 -1.262339
H 1.606314 0.786313 1.769962
H 1.867836 -0.728965 -2.255318
H -5.958585 -0.434411 2.126145
H 7.255562 2.201040 0.270586
H 5.669606 2.425419 1.004616
H 7.112232 2.352556 2.025078
H 7.480402 -2.309527 -0.422961
H 6.015370 -2.490636 -1.377445
H 7.541162 -2.073609 -2.179189
H -5.028694 0.437708 -2.763104
H -7.364804 0.449626 -1.868715
H -0.528550 -0.819607 2.534986
H 0.624167 -1.701408 1.526935
H -1.037235 -2.271868 1.635434
H -8.817063 -0.722155 0.108971
H -8.320621 -0.165799 1.710602
H -8.680172 1.011040 0.442936


%chk=000262928-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262928

0 1
N 5.863616 -0.043939 -0.131010
N -3.344644 -0.360149 1.292762
N -2.736079 -0.090511 -0.891839
C 4.464020 -0.063415 -0.125223
C 6.639643 0.165360 1.107196
C 6.635478 -0.238021 -1.374808
C -4.544785 -0.245731 0.580569
C -2.275033 -0.261373 0.373143
C 1.550975 -0.124700 -0.101436
C -0.869034 -0.329526 0.786737
C -4.137358 -0.079605 -0.788712
C 3.712269 0.237844 1.057907
C 3.709601 -0.366707 -1.306715
C 0.091791 -0.165061 -0.192585
C 2.309092 0.201056 1.065281
C 2.308473 -0.378384 -1.286452
C -5.897919 -0.268490 0.974719
C -6.880557 -0.121664 -0.032676
C 6.886633 1.656116 1.441468
C 6.895633 -1.724215 -1.718382
C -5.127047 0.065142 -1.790211
C -6.479031 0.042378 -1.398196
C -0.581719 -0.614653 2.253245
C -8.359493 -0.137175 0.318695
H 6.129720 -0.335506 1.951039
H 7.612354 -0.349008 0.988622
H 6.117287 0.262490 -2.213840
H 7.603002 0.285927 -1.257248
H -3.252122 -0.471397 2.299584
H 4.226268 0.534943 1.976539
H 4.219195 -0.602239 -2.245156
H -0.315739 -0.063581 -1.209164
H 1.794909 0.492340 1.985637
H 1.769221 -0.611231 -2.213216
H -6.194724 -0.396079 2.022145
H 7.438236 2.154548 0.623870
H 5.933829 2.195230 1.582584
H 7.483247 1.753104 2.367804
H 7.456339 -2.221619 -0.906353
H 5.947462 -2.271533 -1.858389
H 7.488241 -1.809758 -2.648346
H -4.835756 0.191778 -2.837289
H -7.259735 0.153914 -2.160905
H -0.591020 0.303029 2.875463
H 0.405283 -1.089584 2.372321
H -1.323458 -1.317397 2.679547
H -8.888848 -0.956322 -0.204370
H -8.519283 -0.273795 1.402470
H -8.853438 0.807970 0.022879


