%chk=000186848.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186848

1 1
N 3.027469 -1.168276 -0.317252
C -1.281816 0.209334 -0.208634
C -0.112477 -0.446671 -0.740278
C 1.078811 0.263172 -0.867561
C -1.233128 1.565232 0.165927
C -2.513989 -0.530504 -0.060712
C 1.145159 1.656773 -0.511187
C -0.003374 2.303512 0.013414
C -2.585868 -1.904687 -0.440017
C -3.668921 0.105681 0.463976
C 2.305405 -0.404147 -1.406261
C -0.233093 -1.848420 -1.121033
C -2.420940 2.188520 0.696507
C -1.393668 -2.531468 -0.984498
C -3.583892 1.496090 0.839233
C 2.346796 2.417648 -0.668123
C 0.083403 3.684540 0.374641
C -3.784643 -2.605837 -0.291315
C -4.868826 -0.630386 0.603317
C -4.921645 -1.966159 0.230616
C 2.399137 3.745453 -0.316070
C 1.251995 4.389320 0.220355
C 3.141913 -0.636412 0.944842
C 3.574507 -2.402620 -0.599573
C 3.814066 -1.338429 1.951073
C 4.248187 -3.121359 0.387230
C 4.371935 -2.589567 1.678522
H 3.028961 0.342273 -1.833468
H 2.049906 -1.102510 -2.240837
H 0.637177 -2.339974 -1.549324
H -2.367053 3.243654 0.980222
H -1.471342 -3.580001 -1.285691
H -4.480095 1.977632 1.239295
H 3.224945 1.943361 -1.106437
H -0.807398 4.178090 0.776465
H -3.848547 -3.656210 -0.581742
H -5.756889 -0.138182 1.005995
H -5.851292 -2.528980 0.338978
H 3.315636 4.324157 -0.448634
H 1.312774 5.443632 0.494868
H 2.685003 0.354878 1.141173
H 3.467279 -2.802567 -1.621012
H 3.893868 -0.894363 2.952871
H 4.677305 -4.102849 0.144888
H 4.899258 -3.149575 2.461952


%chk=000186848-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186848

1 1
N 3.127700 -1.241482 -0.317961
C -1.414541 0.196855 -0.178719
C -0.247379 -0.549219 -0.630366
C 0.998298 0.120576 -0.790070
C -1.309920 1.599196 0.115652
C -2.682789 -0.475163 -0.040134
C 1.133035 1.521954 -0.454547
C -0.024216 2.269410 -0.002936
C -2.806118 -1.882397 -0.323052
C -3.850366 0.253746 0.383784
C 2.174963 -0.611058 -1.370423
C -0.411119 -1.969435 -0.891642
C -2.497381 2.301258 0.534341
C -1.628747 -2.603970 -0.746288
C -3.718318 1.657945 0.662156
C 2.395858 2.204675 -0.539616
C 0.139271 3.657419 0.311987
C -4.062511 -2.524409 -0.181229
C -5.098156 -0.423273 0.512980
C -5.202396 -1.797906 0.233317
C 2.519853 3.558045 -0.221331
C 1.377026 4.295147 0.205869
C 2.875417 -1.113143 1.021855
C 4.230006 -1.926866 -0.769334
C 3.743938 -1.687552 1.965515
C 5.123720 -2.516878 0.133550
C 4.881675 -2.398613 1.524176
H 2.814846 0.055059 -1.972213
H 1.865418 -1.448369 -2.014804
H 0.448121 -2.570690 -1.206449
H -2.447679 3.369387 0.755896
H -1.719418 -3.676552 -0.953099
H -4.604267 2.219011 0.979677
H 3.295151 1.666756 -0.858807
H -0.718637 4.244344 0.647989
H -4.145359 -3.595204 -0.398890
H -5.980363 0.142107 0.833081
H -6.165928 -2.306361 0.335685
H 3.492123 4.055465 -0.299069
H 1.471825 5.357177 0.452294
H 1.977091 -0.551217 1.286809
H 4.361556 -1.981619 -1.852909
H 3.521568 -1.571212 3.028572
H 5.991668 -3.058118 -0.250048
H 5.567482 -2.852026 2.245453


