%chk=000216036.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216036

0 1
N 3.396416 1.592488 -0.474628
C -0.119798 0.382507 0.609780
C 0.990963 1.183240 -0.121972
C 0.099384 -1.101968 0.310532
C -1.517724 0.795423 0.132379
C 2.410447 0.695539 0.216172
C -0.078523 0.705342 2.116641
C -0.121434 -1.565974 -1.000026
C -2.601759 -0.072756 0.353949
C 0.537780 -2.009335 1.283144
C -1.759574 2.037411 -0.469704
C 4.689791 0.879032 -0.696631
C 3.627315 2.842517 0.309540
C 0.088789 -2.906093 -1.324525
C -3.892756 0.288425 -0.034141
C 0.747107 -3.354343 0.955844
C -3.054282 2.397684 -0.859309
C 0.524337 -3.807095 -0.345636
C -4.123879 1.525830 -0.645121
H 0.844877 1.117567 -1.219577
H 0.897663 2.259020 0.125468
H 2.538717 -0.344431 -0.159268
H 2.555582 0.650405 1.316132
H -0.306328 1.763329 2.293981
H 0.908997 0.508676 2.547691
H -0.818326 0.119671 2.674128
H -0.465265 -0.872022 -1.767499
H -2.434259 -1.040118 0.828230
H 0.722641 -1.683353 2.304638
H -0.944693 2.739658 -0.640348
H 4.509360 0.009796 -1.349960
H 5.191938 0.530277 0.216926
H 5.379553 1.547348 -1.236489
H 4.268657 3.517339 -0.279559
H 4.093843 2.693300 1.293887
H 2.664890 3.357954 0.458237
H -0.086909 -3.251937 -2.341767
H -4.721916 -0.395261 0.139281
H 1.085512 -4.048496 1.722945
H -3.225538 3.363815 -1.330790
H 0.687082 -4.851950 -0.598837
H -5.129476 1.806041 -0.949339


%chk=000216036-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216036

0 1
N 3.452598 1.583775 -0.458967
C -0.123752 0.363362 0.632737
C 1.000829 1.201768 -0.070371
C 0.095029 -1.134808 0.301487
C -1.533271 0.796630 0.140323
C 2.442171 0.727449 0.213150
C -0.086693 0.647023 2.165413
C -0.074464 -1.573072 -1.040627
C -2.657228 -0.004842 0.481549
C 0.493079 -2.092172 1.267089
C -1.768571 1.994235 -0.581362
C 4.751554 0.894699 -0.604513
C 3.614844 2.905551 0.179566
C 0.150100 -2.916103 -1.405874
C -3.965897 0.373960 0.118225
C 0.716078 -3.443217 0.906957
C -3.080048 2.377340 -0.951011
C 0.548452 -3.861879 -0.430631
C -4.185580 1.572018 -0.602110
H 0.859660 1.177699 -1.167360
H 0.890924 2.256720 0.247108
H 2.560321 -0.298863 -0.179092
H 2.629857 0.673650 1.317239
H -0.285748 1.718705 2.343255
H 0.895394 0.405628 2.609708
H -0.861945 0.070610 2.700636
H -0.400704 -0.853183 -1.800895
H -2.499160 -0.944400 1.024767
H 0.631446 -1.795150 2.311543
H -0.933101 2.639547 -0.869008
H 4.611617 -0.049841 -1.159268
H 5.241212 0.652312 0.374033
H 5.446967 1.530775 -1.181945
H 4.340112 3.507317 -0.397097
H 3.982800 2.838935 1.236835
H 2.657348 3.453461 0.186756
H 0.010234 -3.228001 -2.447287
H -4.813247 -0.265284 0.391852
H 1.020509 -4.165337 1.673550
H -3.234295 3.306053 -1.512737
H 0.720514 -4.907336 -0.710375
H -5.200741 1.868766 -0.888849


