%chk=000201312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201312

0 1
S -1.986225 -2.471464 -2.004122
F -6.514079 1.286597 1.283728
F -5.082879 1.036188 2.814092
F -4.818578 2.540014 1.349749
N 2.589756 1.222617 -0.200820
N 5.209495 1.388183 1.027348
N -0.816954 -0.688376 0.263470
C 3.221328 2.572573 0.029334
C 3.748292 0.479148 -0.818085
C 4.071251 2.869507 -1.239743
C 4.413382 1.475843 -1.809065
C 4.119893 2.393773 1.280702
C 4.693798 0.140557 0.364123
C 1.376225 1.261456 -1.074652
C 0.139865 1.589835 -0.221231
C 5.886040 1.037737 2.312529
C -0.145033 0.516631 0.839326
C -2.217010 -0.623409 0.038439
C -0.003356 -1.754071 -0.218417
C -2.874629 -1.441744 -0.907261
C -0.465129 -2.681977 -1.170798
C -3.009612 0.253091 0.813430
C 1.298734 -1.935388 0.305903
C -4.397000 0.289633 0.641435
C -4.257978 -1.416056 -1.054747
C 0.305149 -3.783530 -1.548225
C -5.033431 -0.542027 -0.282972
C 2.072467 -3.022876 -0.088514
C 1.580366 -3.957512 -1.007932
C -5.187768 1.253625 1.490972
H 2.460091 3.356200 0.217413
H 3.417595 -0.456198 -1.315735
H 4.986132 3.428960 -0.984266
H 3.511700 3.479718 -1.962632
H 4.022079 1.344649 -2.828079
H 5.503783 1.323407 -1.858367
H 4.620385 3.355935 1.519810
H 3.477108 2.126634 2.146662
H 4.158485 -0.533274 1.066854
H 5.580480 -0.409343 -0.016817
H 1.459349 1.992074 -1.907408
H 1.243681 0.262606 -1.548914
H 0.280628 2.563969 0.288540
H -0.737063 1.719985 -0.886572
H 6.318896 1.952132 2.749157
H 6.725409 0.356291 2.100467
H 5.239705 0.566686 3.067584
H -0.783325 0.934480 1.652267
H 0.813031 0.207013 1.331185
H -2.532228 0.898209 1.556483
H 1.705526 -1.207224 1.015359
H -4.749834 -2.071721 -1.778413
H -0.083121 -4.506184 -2.269160
H -6.114481 -0.527077 -0.417409
H 3.071871 -3.149259 0.328664
H 2.186638 -4.811343 -1.299867


%chk=000201312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201312

0 1
S -0.934446 -2.089860 -2.228924
F -6.529276 0.809114 0.441340
F -5.037234 1.251524 2.098533
F -5.109314 2.563215 0.256120
N 2.354670 1.420189 -0.081317
N 5.212159 1.140138 0.318521
N -0.575555 -0.656394 0.459990
C 3.191464 2.577253 0.388793
C 3.238889 0.867497 -1.161362
C 3.701375 3.274747 -0.922474
C 3.726246 2.117533 -1.973905
C 4.368183 1.983554 1.197634
C 4.418870 0.158237 -0.459717
C 0.982362 1.785048 -0.522306
C -0.005179 1.791835 0.666296
C 6.355005 0.536267 1.019855
C -0.069471 0.411741 1.360495
C -1.887862 -0.551333 -0.074711
C 0.131353 -1.898207 0.373407
C -2.238771 -1.219501 -1.285294
C 0.025536 -2.711527 -0.787968
C -2.890259 0.216150 0.571863
C 0.938131 -2.373688 1.442535
C -4.186259 0.317071 0.019064
C -3.545133 -1.149891 -1.806686
C 0.688895 -3.949829 -0.884396
C -4.528937 -0.365379 -1.168911
C 1.637188 -3.594888 1.333194
C 1.517075 -4.391445 0.173004
C -5.193222 1.202262 0.688470
H 2.598667 3.247755 1.035848
H 2.681225 0.135571 -1.770974
H 4.705300 3.705626 -0.773168
H 3.017698 4.088061 -1.227249
H 3.040853 2.321486 -2.816789
H 4.740209 1.962227 -2.378767
H 4.998447 2.795357 1.610464
H 3.942026 1.404655 2.056229
H 3.998106 -0.654580 0.184358
H 5.084877 -0.309685 -1.210588
H 0.938314 2.774400 -1.034942
H 0.647941 1.025893 -1.254401
H 0.320723 2.530189 1.425719
H -0.999951 2.118516 0.310164
H 6.959689 1.326998 1.500749
H 6.999667 0.005785 0.295348
H 6.054354 -0.196770 1.811995
H -0.656137 0.464395 2.301082
H 0.971313 0.156512 1.614854
H -2.668957 0.725191 1.512832
H 1.011206 -1.796320 2.368253
H -3.786697 -1.693493 -2.725275
H 0.569268 -4.556358 -1.788358
H -5.538243 -0.292656 -1.582470
H 2.262139 -3.930580 2.167821
H 2.050379 -5.343705 0.090922


