59
M1 M062X/DGDZVP Gas phase
 Ge                -0.00419200   -2.29939200    0.00642000
 N                  1.13453600   -0.80471300    0.16611900
 N                 -1.13828800   -0.80109700   -0.15576100
 N                  0.00269500    1.54085300   -0.00169600
 C                 -3.39388000   -0.95962200   -1.04527200
 C                 -2.53099100   -0.68455700    0.03246000
 C                 -3.05464400   -0.30425900    1.28446300
 C                  2.52737700   -0.69190500   -0.02409500
 C                 -2.82165400   -1.35934200   -2.38133200
 H                 -2.07394900   -0.63479700   -2.71820600
 H                 -3.60799300   -1.43133200   -3.13593800
 H                 -2.32010600   -2.33161700   -2.32544000
 C                  3.39014100   -0.95120600    1.05754800
 C                  2.12172700   -0.07037500   -2.44020000
 H                  2.68441500    0.18557400   -3.34069400
 H                  1.42910300    0.74904500   -2.22155100
 H                  1.50885600   -0.95169700   -2.66132800
 C                  4.76909000   -0.83239000    0.87082600
 H                  5.43662600   -1.02612200    1.70674900
 C                 -2.12568500   -0.02757500    2.43929200
 H                 -2.68893200    0.23151700    3.33852700
 H                 -1.44044100    0.79577200    2.21213100
 H                 -1.50482900   -0.90165900    2.66655100
 B                 -0.00015600    0.12527500    0.00312100
 C                 -1.21228700    2.25902400   -0.43415700
 H                 -2.01511800    1.52191500   -0.38617700
 C                  3.05084700   -0.32939700   -1.28135800
 C                  2.81739300   -1.33012700    2.39938200
 H                  3.60399200   -1.39494900    3.15437000
 H                  2.31120800   -2.30062600    2.35718400
 H                  2.07303600   -0.59766300    2.72661000
 C                 -5.29872700   -0.45081900    0.37017100
 H                 -6.37241900   -0.35642400    0.50034000
 C                  5.29484600   -0.46217900   -0.36491500
 H                  6.36851400   -0.36925500   -0.49634900
 C                 -4.77284000   -0.83830200   -0.86020500
 H                 -5.44025300   -1.04418500   -1.69331400
 C                  1.22180300    2.25848300    0.41942300
 H                  2.01804900    1.51337600    0.39174900
 C                  4.43418200   -0.21337500   -1.43240400
 H                  4.83975700    0.07268700   -2.39975900
 C                 -4.43801400   -0.18666500    1.43391900
 H                 -4.84347700    0.11300600    2.39718700
 C                 -1.15363800    2.71377900   -1.90000100
 H                 -0.48362200    3.56300600   -2.05333700
 H                 -2.15363200    3.01453600   -2.22938300
 H                 -0.82094400    1.88983500   -2.53866800
 C                 -1.64602900    3.40493000    0.48298200
 H                 -1.73606800    3.07237500    1.52067500
 H                 -2.62788300    3.76189400    0.15779000
 H                 -0.95988300    4.25535300    0.44659700
 C                  1.66892000    3.37880600   -0.52268400
 H                  0.98903500    4.23492700   -0.50981600
 H                  1.76085200    3.02060500   -1.55167200
 H                  2.65213900    3.73601500   -0.20182000
 C                  1.16332300    2.74757100    1.87426700
 H                  0.50792400    3.61169900    2.00526200
 H                  2.16692400    3.03872700    2.20128900
 H                  0.81386700    1.94433100    2.53009800
69
M2 M062X/DGDZVP Gas phase
 Ge                -0.08736700    1.73587900    0.91814200
 N                  1.15436600    0.53913500    0.11269600
 N                 -1.12105900    0.25210500    0.34257900
 N                  0.20204200   -1.73630800   -0.71488200
 C                 -3.07960400   -0.24772700    1.69776800
 C                 -2.50217200   -0.01498500    0.43244400
 C                 -3.31091200   -0.03924000   -0.72215500
 C                  2.49897500    0.35061200    0.51481300
 C                 -2.23198400   -0.21745600    2.94578400
 H                 -1.33801600   -0.83862100    2.83509800
 H                 -2.79896700   -0.57721400    3.80756400
 H                 -1.89144300    0.79848100    3.17729300
 C                  3.53790600    0.91226700   -0.25217100
 C                  1.71004700   -0.95132900    2.54406300
 H                  2.12747400   -1.52560800    3.37470100
 H                  1.04548800   -1.60868700    1.97391900
 H                  1.08786300   -0.15587900    2.97284800
 C                  4.86423200    0.72431500    0.14185300
 H                  5.66114700    1.15731500   -0.45785500
 C                 -2.70128400    0.24036100   -2.06999100
 H                 -3.43171900    0.08606600   -2.86790100
 H                 -1.83297200   -0.40043300   -2.26389400
 H                 -2.35363200    1.27762600   -2.11357700
 B                  0.07803100   -0.44682300   -0.13230600
 C                 -0.94820500   -2.65914300   -0.64968100
 H                 -1.83662700   -2.02624800   -0.65035200
 C                  2.80899500   -0.38142800    1.68158700
 C                  3.21053200    1.66677100   -1.51276300
 H                  4.10725800    2.12203700   -1.94001400
 H                  2.46987200    2.45175100   -1.32996100
 H                  2.78041800    0.98807300   -2.25780800
 C                 -5.24855300   -0.55042900    0.64792900
 H                 -6.31002700   -0.76259600    0.73090900
 C                  5.17565800   -0.01459900    1.28054200
 H                  6.21077000   -0.15963100    1.57406300
 C                 -4.44853100   -0.51287200    1.78696800
 H                 -4.88925700   -0.69797600    2.76342000
 C                  1.51450600   -2.16368200   -1.23389500
 H                  2.18784700   -1.33897000   -0.99986100
 C                  4.14626500   -0.56171900    2.04244300
 H                  4.38137100   -1.13339900    2.93683200
 C                 -4.67405000   -0.31346600   -0.59897900
 H                 -5.29140400   -0.33652800   -1.49364500
 C                 -0.99743900   -3.44851600    0.66450700
 H                 -0.15624600   -4.13985900    0.76415600
 H                 -1.92533900   -4.02743400    0.71991600
 H                 -0.98443700   -2.76069500    1.51575000
 C                 -1.10667700   -3.58489300   -1.85709700
 H                 -1.11724000   -3.02043400   -2.79307000
 H                 -2.06317000   -4.10846500   -1.76828400
 H                 -0.32200400   -4.34394200   -1.91371700
 C                  2.10080100   -3.39542400   -0.53828900
 H                  1.54389400   -4.30829000   -0.76939100
 H                  2.11682700   -3.26001000    0.54726000
 H                  3.13195300   -3.54351600   -0.87437300
 C                  1.57253100   -2.30628400   -2.76388300
 H                  1.15139200   -3.24605300   -3.12667400
 H                  2.61855800   -2.27054500   -3.08590200
 H                  1.04022400   -1.47941800   -3.24488600
 C                 -0.31665000    2.93832700   -1.95918700
 C                 -0.70495000    3.78162900   -1.17702700
 C                  0.12842700    1.93235100   -2.93004100
 H                 -0.64995200    1.75332600   -3.67574000
 H                  1.03267500    2.27145300   -3.44077000
 H                  0.35191800    0.99144300   -2.41569800
 C                 -1.18936400    4.83922100   -0.27810800
 H                 -2.09215700    4.51453900    0.24416600
 H                 -0.43176400    5.08429200    0.46922000
 H                 -1.42341300    5.73954300   -0.85012600
118
D1 M062X/DGDZVP Gas phase
 Ge                 0.47107100   -0.29550800    1.40205300
 N                  2.18789100   -0.31296800    0.45379700
 N                  0.60071700    1.35913000    0.07435600
 N                  3.08072400    1.91102800   -0.53282100
 C                 -0.67092700    3.47859300   -0.24616500
 C                  0.15308200    2.64863400    0.54937100
 C                  0.52759700    3.10162800    1.83817800
 C                  3.25157300   -1.24231800    0.40642200
 C                 -0.90949500    3.25254900   -1.72280100
 H                 -0.05129300    2.79692500   -2.22380500
 H                 -1.08822500    4.21515300   -2.20939300
 H                 -1.79762900    2.64383000   -1.91949500
 C                  3.98590900   -1.53712300    1.57485100
 C                  2.85281800   -1.53004700   -2.08165900
 H                  3.33361700   -2.00519000   -2.94047600
 H                  2.83120400   -0.44866500   -2.25338700
 H                  1.81360400   -1.87392400   -2.04405300
 C                  4.99711700   -2.49852400    1.52603600
 H                  5.55448300   -2.72784900    2.43094400
 C                  1.52424400    2.39224500    2.73119000
 H                  2.08246800    3.13478200    3.30887000
 H                  2.25649800    1.80557700    2.17505700
 H                  1.02595800    1.72736400    3.44368600
 B                  2.07591600    1.01869100   -0.06172600
 C                  2.69436000    3.03817800   -1.40026100
 H                  1.66633900    3.27383000   -1.12816800
 C                  3.58379000   -1.87177500   -0.81001900
 C                  3.71649200   -0.78247900    2.85301300
 H                  4.38959500   -1.11409700    3.64701500
 H                  2.68807500   -0.90797100    3.21007500
 H                  3.86968700    0.29295800    2.70407900
 C                 -0.96774300    5.00887200    1.61926400
 H                 -1.42521800    5.89747000    2.04262500
 C                  5.30768200   -3.14949800    0.33376800
 H                  6.09762500   -3.89388000    0.30542000
 C                 -1.24445900    4.62307500    0.31436900
 H                 -1.91002600    5.22421900   -0.30004000
 C                  4.49772900    1.61500400   -0.24863700
 H                  4.49004300    0.64025900    0.23790000
 C                  4.61027200   -2.81994700   -0.82530100
 H                  4.85704400   -3.31108600   -1.76332000
 C                 -0.04749900    4.26752000    2.35065800
 H                  0.23417300    4.58822100    3.35072700
 C                  2.67564900    2.66138300   -2.88902600
 H                  3.67801200    2.47922300   -3.28556100
 H                  2.22672600    3.47228600   -3.47415600
 H                  2.07596400    1.75776000   -3.04692600
 C                  3.46967700    4.33569200   -1.16675700
 H                  3.44525500    4.62424500   -0.11281800
 H                  2.99441800    5.13344800   -1.74582200
 H                  4.51077800    4.27096200   -1.49395900
 C                  5.38208500    1.45090000   -1.48766100
 H                  5.53602600    2.39571500   -2.01723300
 H                  4.95380300    0.72332800   -2.18304800
 H                  6.36554800    1.08311300   -1.17834400
 C                  5.14261900    2.57085500    0.76987900
 H                  5.46827900    3.51513100    0.32851700
 H                  6.02648700    2.08950400    1.20191800
 H                  4.44473800    2.79352000    1.58305400
 Ge                -0.47101700    0.29549700   -1.40199100
 N                 -2.18785300    0.31296500   -0.45376700
 N                 -0.60068800   -1.35913600   -0.07429000
 N                 -3.08071700   -1.91101800    0.53282500
 C                  0.67097700   -3.47861100    0.24616400
 C                 -0.15306500   -2.64863700   -0.54932600
 C                 -0.52765100   -3.10162600   -1.83811400
 C                 -3.25154600    1.24230300   -0.40644300
 C                  0.90958800   -3.25261500    1.72280000
 H                  0.05140400   -2.79700100    2.22384200
 H                  1.08832000   -4.21523800    2.20935500
 H                  1.79773500   -2.64391500    1.91949000
 C                 -3.98581900    1.53709700   -1.57491200
 C                 -2.85294300    1.53002600    2.08166500
 H                 -3.33379600    2.00516400    2.94045300
 H                 -2.83133300    0.44864300    2.25339400
 H                 -1.81373000    1.87391000    2.04412300
 C                 -4.99705200    2.49847400   -1.52615200
 H                 -5.55436800    2.72779400   -2.43109100
 C                 -1.52439700   -2.39227100   -2.73104000
 H                 -2.08264900   -3.13482500   -3.30866900
 H                 -2.25662300   -1.80562500   -2.17484300
 H                 -1.02619400   -1.72737600   -3.44358000
 B                 -2.07588600   -1.01868400    0.06177700
 C                 -2.69441800   -3.03811400    1.40036600
 H                 -1.66635300   -3.27374900    1.12842400
 C                 -3.58384500    1.87174600    0.80998200
 C                 -3.71629800    0.78247100   -2.85306400
 H                 -4.38936300    1.11407100   -3.64710500
 H                 -2.68786300    0.90800200   -3.21006000
 H                 -3.86946300   -0.29297400   -2.70414500
 C                  0.96773000   -5.00884800   -1.61931000
 H                  1.42519400   -5.89743400   -2.04270800
 C                 -5.30770200    3.14943400   -0.33389800
 H                 -6.09766700    3.89379500   -0.30559100
 C                  1.24449800   -4.62307300   -0.31441900
 H                  1.91009400   -5.22422700    0.29995100
 C                 -4.49770200   -1.61496500    0.24858500
 H                 -4.48998400   -0.64015100   -0.23781500
 C                 -4.61035100    2.81989400    0.82521000
 H                 -4.85719000    3.31102200    1.76321700
 C                  0.04743500   -4.26750000   -2.35064300
 H                 -0.23429100   -4.58819400   -3.35069900
 C                 -2.67593800   -2.66122900    2.88910900
 H                 -3.67836900   -2.47906400    3.28547400
 H                 -2.22709000   -3.47208800    3.47435900
 H                 -2.07629800   -1.75758300    3.04704600
 C                 -3.46966200   -4.33566900    1.16684500
 H                 -3.44507300   -4.62430700    0.11293400
 H                 -2.99446500   -5.13336500    1.74604500
 H                 -4.51081300   -4.27094300    1.49389000
 C                 -5.38213300   -1.45104700    1.48757900
 H                 -5.53608600   -2.39594000    2.01700900
 H                 -4.95390100   -0.72356600    2.18309400
 H                 -6.36558500   -1.08323200    1.17825800
 C                 -5.14252600   -2.57066200   -0.77011900
 H                 -5.46824800   -3.51499100   -0.32892000
 H                 -6.02634600   -2.08922900   -1.20216500
 H                 -4.44458000   -2.79322500   -1.58326700
128
D3 M062X/DGDZVP Gas phase
 Ge                 1.09094500    0.26697100    0.65116200
 N                  1.99812200   -1.39573500    0.53736800
 N                  2.80566600    0.69131400   -0.02004500
 N                  4.35741200   -1.34998500   -0.54353800
 C                  2.88412200    2.92394100   -0.95718300
 C                  3.43175400    1.94878500   -0.09569800
 C                  4.54618200    2.26591300    0.71040800
 C                  1.30715500   -2.58220400    0.18360400
 C                  1.68215900    2.60238700   -1.80984300
 H                  1.78750900    1.62606300   -2.29422500
 H                  1.53342900    3.36585600   -2.57805800
 H                  0.76013600    2.57942500   -1.21045200
 C                  0.82279300   -3.40799200    1.21979700
 C                  1.58337400   -2.10915800   -2.31428100
 H                  0.99316500   -2.28691200   -3.21782900
 H                  2.62066500   -2.38513100   -2.52714200
 H                  1.57478800   -1.03333000   -2.11808700
 C                  0.05751800   -4.53148000    0.90731000
 H                 -0.32153500   -5.15640400    1.71262000
 C                  5.11217400    1.25943300    1.67913800
 H                  6.06231000    1.61108100    2.08906500
 H                  5.27503900    0.28378400    1.21576300
 H                  4.41601400    1.10955100    2.51114400
 B                  3.17939900   -0.73017100   -0.05500400
 C                  5.30612000   -0.55777100   -1.34928400
 H                  5.07691000    0.48703700   -1.12497700
 C                  1.03634300   -2.91677800   -1.16262000
 C                  1.14306700   -3.07240400    2.65235200
 H                  0.73639000   -3.82786400    3.32940800
 H                  0.72713600   -2.10027500    2.93855800
 H                  2.22641900   -3.00984700    2.80266400
 C                  4.55131600    4.51931200   -0.20527400
 H                  4.98621500    5.51316500   -0.24752600
 C                 -0.23810500   -4.85169400   -0.41552400
 H                 -0.85496000   -5.71400500   -0.64804200
 C                  3.44914300    4.19974500   -0.99511700
 H                  3.01897000    4.94840300   -1.65570100
 C                  4.59279100   -2.76805200   -0.20880100
 H                  3.62079600   -3.15205900    0.10947600
 C                  0.25584500   -4.04590800   -1.43589300
 H                  0.03096500   -4.28970100   -2.47180400
 C                  5.09350600    3.54939600    0.63571100
 H                  5.95156700    3.79256800    1.25767300
 C                  5.07305700   -0.72086600   -2.85738300
 H                  5.30868200   -1.72937600   -3.20730800
 H                  5.70296700   -0.01658900   -3.41075000
 H                  4.02895900   -0.50393300   -3.10115700
 C                  6.78504200   -0.74622000   -0.99674200
 H                  6.97350800   -0.57350800    0.06568200
 H                  7.37345800   -0.01799100   -1.56298600
 H                  7.15773300   -1.73995200   -1.25711000
 C                  5.03406700   -3.65845700   -1.37436100
 H                  6.02736200   -3.40156100   -1.75069700
 H                  4.32672700   -3.61534300   -2.20568000
 H                  5.07388300   -4.69548400   -1.02740000
 C                  5.52592300   -2.94148900    0.99922700
 H                  6.57040800   -2.73047000    0.75802200
 H                  5.47095600   -3.97251000    1.36407600
 H                  5.21535000   -2.27626500    1.81128500
 Ge                -1.16179300   -0.05625400   -1.17521700
 N                 -2.34147400    1.36843100   -0.76052400
 N                 -2.60877500   -0.85957000   -0.27250200
 N                 -4.62437100    0.71484000    0.28869900
 C                 -2.88246800   -2.86069800    1.07392100
 C                 -2.99891100   -2.21079200   -0.16888900
 C                 -3.50253400   -2.90071600   -1.28749300
 C                 -2.04632000    2.73087700   -0.59728100
 C                 -2.32970200   -2.10119300    2.24909600
 H                 -3.00190000   -1.28633700    2.54707300
 H                 -2.17823700   -2.75873000    3.10967100
 H                 -1.37267400   -1.63611400    1.98741100
 C                 -1.77710000    3.51943700   -1.73709200
 C                 -2.19434000    2.46603700    1.92004400
 H                 -1.88715100    3.00708200    2.81927900
 H                 -3.24722800    2.18353200    2.03405500
 H                 -1.61891300    1.53310400    1.86709700
 C                 -1.46487900    4.87045100   -1.57776300
 H                 -1.25776600    5.47284500   -2.45913600
 C                 -3.61385800   -2.20264700   -2.61977900
 H                 -4.18891100   -2.80325700   -3.32847700
 H                 -4.09955100   -1.22639500   -2.51723000
 H                 -2.62419200   -2.02896000   -3.06003200
 B                 -3.30954500    0.42987300   -0.16312000
 C                 -5.44447300   -0.36004200    0.87178000
 H                 -4.79555500   -1.23506700    0.87226600
 C                 -1.97322500    3.30890800    0.68942800
 C                 -1.80598200    2.89646100   -3.10916400
 H                 -1.74797300    3.66315600   -3.88550800
 H                 -0.95854700    2.21458100   -3.25511200
 H                 -2.71844700    2.31111400   -3.25612900
 C                 -3.81730500   -4.87239500    0.09453600
 H                 -4.14481600   -5.90266000    0.19769500
 C                 -1.42006100    5.45404300   -0.31279800
 H                 -1.18293000    6.50764100   -0.20232000
 C                 -3.30477900   -4.18539300    1.19309900
 H                 -3.22533200   -4.68351600    2.15677900
 C                 -5.20360000    2.02135400   -0.08334300
 H                 -4.37046000    2.72762600   -0.08415100
 C                 -1.67480700    4.66901300    0.80895600
 H                 -1.62805800    5.11267200    1.80121400
 C                 -3.90527500   -4.23038900   -1.13969100
 H                 -4.30335500   -4.76314600   -2.00002100
 C                 -5.82726500   -0.14051100    2.34487800
 H                 -6.69757900    0.50679300    2.47187600
 H                 -6.06973600   -1.10741100    2.79847100
 H                 -4.98943400    0.29353100    2.89911700
 C                 -6.66449700   -0.75005000    0.03218400
 H                 -6.37142900   -0.96419000   -1.00012100
 H                 -7.11763400   -1.65410900    0.45128300
 H                 -7.43063400    0.03097700    0.02325900
 C                 -6.22055300    2.58457700    0.91022600
 H                 -7.15246200    2.01292400    0.92638200
 H                 -5.81365100    2.61974000    1.92426300
 H                 -6.46936000    3.60708500    0.61108700
 C                 -5.76742300    2.02291900   -1.51117200
 H                 -6.67881400    1.42456800   -1.59447400
 H                 -6.00416000    3.04635500   -1.82086400
 H                 -5.02311800    1.62026800   -2.20504200
 C                  2.03828300    1.17956200    3.38358300
 C                  1.73267100    2.21644500    2.83134900
 C                  2.49489400   -0.04948000    4.04662500
 H                  1.67859100   -0.53230000    4.58853000
 H                  2.88300400   -0.75419300    3.30365800
 H                  3.29322900    0.18217000    4.75632400
 C                  1.37725900    3.46308000    2.14343300
 H                  0.79781600    4.11457100    2.80287100
 H                  2.27999000    3.98872500    1.81657600
 H                  0.76273100    3.25659100    1.25875700
128
D4 M062X/DGDZVP Gas phase
 Ge                 0.49695500   -0.30891000    1.00708900
 N                  2.17438900   -0.03578100    0.02125600
 N                  0.45024500    1.53844100   -0.04083400
 N                  2.84718600    2.38007700   -0.64387400
 C                 -1.05108700    3.51490100    0.10157600
 C                 -0.09178900    2.66024100    0.68746600
 C                  0.31173100    2.90885400    2.02578200
 C                  3.29930700   -0.86585200   -0.17862500
 C                 -1.33169900    3.55484400   -1.38422400
 H                 -0.45661900    3.29189500   -1.98411200
 H                 -1.61824800    4.57132900   -1.66753000
 H                 -2.16747300    2.91108900   -1.67483000
 C                  4.09529700   -1.24899100    0.92240900
 C                  2.82776300   -0.85713100   -2.66784400
 H                  3.28974900   -1.20269300   -3.59609900
 H                  2.74856100    0.23477400   -2.70682400
 H                  1.80731100   -1.25286800   -2.63067000
 C                  5.16518300   -2.12339900    0.72256700
 H                  5.77288900   -2.42045900    1.57420700
 C                  1.48228300    2.21518200    2.69062700
 H                  1.86445800    2.84579400    3.49805700
 H                  2.30625000    2.05256600    1.99324000
 H                  1.22332700    1.24556400    3.13145100
 B                  1.93997300    1.34498000   -0.27504800
 C                  2.31839300    3.61155700   -1.25714400
 H                  1.29995300    3.70685900   -0.88190100
 C                  3.62738800   -1.30978900   -1.47464100
 C                  3.82314600   -0.66901500    2.28788900
 H                  4.52903300   -1.06049500    3.02538400
 H                  2.80898900   -0.88008900    2.64851400
 H                  3.92644400    0.42278900    2.26438200
 C                 -1.43867800    4.58642900    2.24754600
 H                 -1.98499100    5.29762100    2.85906800
 C                  5.47329700   -2.59591000   -0.55219900
 H                  6.30813400   -3.27473200   -0.69765000
 C                 -1.73750900    4.43423000    0.90095500
 H                 -2.51218400    5.04383000    0.44217200
 C                  4.29922100    2.14877200   -0.52415400
 H                  4.39535500    1.10414800   -0.23125400
 C                  4.71415800   -2.17288700   -1.64021300
 H                  4.96016100   -2.52229400   -2.63994400
 C                 -0.37872300    3.85947200    2.78083000
 H                 -0.07294500    4.02709400    3.81074900
 C                  2.21312600    3.51693300   -2.78620200
 H                  3.19203500    3.52073500   -3.27241600
 H                  1.64440500    4.36929400   -3.17539300
 H                  1.69115300    2.59810900   -3.07653100
 C                  3.01947700    4.90057500   -0.82659100
 H                  3.06179900    4.97769500    0.26298200
 H                  2.44692100    5.75327000   -1.20431200
 H                  4.03247200    4.98424500   -1.22921900
 C                  5.08247100    2.28713800   -1.83314300
 H                  5.14336100    3.32528500   -2.17371700
 H                  4.63248700    1.68418400   -2.62674100
 H                  6.10561100    1.93080600   -1.67707700
 C                  4.97735500    2.94724900    0.60301900
 H                  5.19546500    3.98103100    0.32730400
 H                  5.92889300    2.46672500    0.85430200
 H                  4.35563700    2.95639400    1.50311900
 Ge                -0.60213700    0.63205700   -1.63517400
 N                 -2.27707800    0.34599400   -0.64919000
 N                 -0.54422200   -1.22156500   -0.58929700
 N                 -2.94311500   -2.07585700   -0.01080100
 C                  0.89571300   -3.25424100   -0.60434800
 C                 -0.01709400   -2.39055900   -1.25404700
 C                 -0.39876100   -2.68548800   -2.58555600
 C                 -3.42345700    1.13834600   -0.41609000
 C                  1.18040300   -3.20851400    0.88062500
 H                  0.30585500   -2.94776600    1.48377600
 H                  1.51279600   -4.19613200    1.21302000
 H                  1.99162800   -2.51805600    1.13495100
 C                 -4.23264400    1.54719900   -1.49774300
 C                 -2.94126400    1.05681600    2.07060600
 H                 -3.40912400    1.35200000    3.01385100
 H                 -2.81599400   -0.03186200    2.07258800
 H                 -1.93960400    1.50020700    2.03607200
 C                 -5.34009500    2.36280800   -1.25802100
 H                 -5.95571800    2.67912400   -2.09651500
 C                 -1.47058700   -1.93177400   -3.34388800
 H                 -1.95980700   -2.61049300   -4.04813100
 H                 -2.24889500   -1.53030200   -2.69290100
 H                 -1.05044600   -1.10386600   -3.92386100
 B                 -2.03255900   -1.03613300   -0.35876500
 C                 -2.43469100   -3.26156700    0.70306800
 H                 -1.41289400   -3.39822900    0.35095600
 C                 -3.76854700    1.51285200    0.89835500
 C                 -3.93727300    1.05988400   -2.89435500
 H                 -4.65800800    1.46716600   -3.60710100
 H                 -2.93336400    1.33660000   -3.23536600
 H                 -3.99507900   -0.03438100   -2.93992000
 C                  1.24457300   -4.47769400   -2.67637700
 H                  1.75550700   -5.25740200   -3.23242400
 C                 -5.67241300    2.75565400    0.03707900
 H                 -6.53822500    3.38650600    0.21388300
 C                  1.53539800   -4.25815800   -1.33635800
 H                  2.26954700   -4.88059200   -0.83114700
 C                 -4.38719700   -1.87224600   -0.23225600
 H                 -4.46959000   -0.85762200   -0.61877100
 C                 -4.89275700    2.31687600    1.10376500
 H                 -5.15153800    2.60752800    2.11901400
 C                  0.24630500   -3.71763200   -3.27324800
 H                 -0.04110800   -3.91454000   -4.30332200
 C                 -2.35099300   -3.03737400    2.21966100
 H                 -3.33869000   -2.91557300    2.67340300
 H                 -1.85353900   -3.88439800    2.70635600
 H                 -1.75967700   -2.13966300    2.43664300
 C                 -3.14245400   -4.57533500    0.37085600
 H                 -3.14701400   -4.75654100   -0.70685400
 H                 -2.59562600   -5.39372900    0.84868000
 H                 -4.16982000   -4.60865600    0.74244400
 C                 -5.24487400   -1.90469500    1.03607800
 H                 -5.29539300   -2.90402000    1.47885900
 H                 -4.86180600   -1.20647900    1.78581600
 H                 -6.26691700   -1.60190800    0.78665300
 C                 -4.98576800   -2.76731300   -1.33135700
 H                 -5.23527500   -3.77174000   -0.98361000
 H                 -5.91088200   -2.30957600   -1.69763100
 H                 -4.29235300   -2.85572400   -2.17348100
 C                  1.32898500   -2.46736500    4.26656100
 C                  0.44539400   -1.65754900    4.44413900
 C                  2.40150800   -3.45297900    4.07274400
 H                  2.98078500   -3.23180000    3.17105200
 H                  3.08543400   -3.44616100    4.92500100
 H                  1.98553500   -4.45873000    3.97485700
 C                 -0.63742900   -0.68916300    4.65567500
 H                 -0.84207100   -0.14834700    3.72638500
 H                 -1.55113300   -1.20403200    4.96421700
 H                 -0.36953600    0.03043500    5.43331200
118
D5 M062X/DGDZVP Gas phase
 Ge                -1.48427200    0.14981900   -1.52909800
 N                 -2.20149700   -1.39707300   -0.67849500
 N                 -2.96020200    0.76776300   -0.52814500
 N                 -4.34967500   -1.04685200    0.73962600
 C                 -3.27453600    3.09576700    0.07705600
 C                 -3.70110200    1.96180600   -0.63966100
 C                 -4.84171500    2.02361400   -1.46365800
 C                 -1.43065100   -2.49725000   -0.26161400
 C                 -2.03700200    3.01316000    0.93408700
 H                 -2.09225800    2.15632700    1.61454300
 H                 -1.89859300    3.92528600    1.52046600
 H                 -1.13523400    2.88314900    0.32030300
 C                 -1.00619300   -3.42799100   -1.23552300
 C                 -1.45479400   -1.68570600    2.15597500
 H                 -0.77649300   -1.73148300    3.01347000
 H                 -2.46364300   -1.92106200    2.51103900
 H                 -1.48792500   -0.65178000    1.79418800
 C                 -0.17643500   -4.48495900   -0.86069800
 H                  0.15330400   -5.19337800   -1.61756700
 C                 -5.24433400    0.82536300   -2.28578700
 H                 -6.19296500    1.00434700   -2.79751900
 H                 -5.34589300   -0.07399100   -1.67136300
 H                 -4.48592600    0.60607000   -3.04686100
 B                 -3.26865900   -0.59289700   -0.05897900
 C                 -5.21268600   -0.06761700    1.42399500
 H                 -4.87775500    0.90446600    1.05871200
 C                 -1.01349600   -2.64947800    1.08104300
 C                 -1.46323900   -3.28012000   -2.66553300
 H                 -1.18300800   -4.15792200   -3.25248100
 H                 -1.01785900   -2.40332000   -3.15043500
 H                 -2.54866300   -3.15110000   -2.71408600
 C                 -5.16261500    4.33792000   -0.80485100
 H                 -5.73577200    5.25821600   -0.86198700
 C                  0.23809200   -4.64158900    0.45987200
 H                  0.90128000   -5.45582900    0.73453400
 C                 -4.01575100    4.27552400   -0.01581300
 H                 -3.69291700    5.15125100    0.54158600
 C                 -4.62855400   -2.49708300    0.75799700
 H                 -3.66827100   -2.98506800    0.56961600
 C                 -0.18309200   -3.72453600    1.41752900
 H                  0.14568100   -3.83394900    2.44903600
 C                 -5.56656400    3.21559600   -1.52615300
 H                 -6.45373200    3.26452500   -2.15279700
 C                 -5.00756100   -0.02172000    2.94666300
 H                 -5.49577100   -0.84790500    3.46797300
 H                 -5.42825200    0.90968200    3.33952800
 H                 -3.94035100   -0.03851000    3.18780100
 C                 -6.70090400   -0.15945800    1.07269600
 H                 -6.85656900   -0.11845400   -0.00865600
 H                 -7.22584200    0.69041100    1.52013000
 H                 -7.16612300   -1.07190700    1.45641500
 C                 -5.12672200   -3.05569700    2.09330100
 H                 -6.13322300   -2.71135000    2.34449500
 H                 -4.45723600   -2.79915300    2.91796900
 H                 -5.16386200   -4.14667800    2.02003200
 C                 -5.55750400   -2.91498200   -0.39001800
 H                 -6.56452300   -2.50611800   -0.26957000
 H                 -5.63763900   -4.00622300   -0.43547500
 H                 -5.15232500   -2.56401700   -1.34399700
 Ge                 0.87843600    0.12397400    0.20862600
 N                  2.16504300    1.47921000    0.36715000
 N                  2.49803800   -0.73647300   -0.14906900
 N                  4.63672100    0.76122600   -0.02688000
 C                  2.83656700   -2.89091000   -1.22317200
 C                  2.88017400   -2.09347300   -0.06660700
 C                  3.31257100   -2.63266100    1.16001300
 C                  1.97902400    2.87454100    0.29356400
 C                  2.32416300   -2.30225500   -2.51022600
 H                  2.91773200   -1.43125600   -2.80913900
 H                  2.34626200   -3.03938900   -3.31661200
 H                  1.29014300   -1.95592800   -2.39191000
 C                  1.48919400    3.55577600    1.42506700
 C                  2.72459800    2.83441300   -2.12245000
 H                  2.75217600    3.49458400   -2.99203900
 H                  3.73049900    2.43006400   -1.96498400
 H                  2.07653700    1.98272500   -2.35978000
 C                  1.27306700    4.93316000    1.34789000
 H                  0.89695100    5.46020500    2.22146500
 C                  3.26905200   -1.78853400    2.40781100
 H                  3.69226900   -2.32559300    3.25996000
 H                  3.81873700   -0.84962400    2.28286900
 H                  2.23337700   -1.52166700    2.65721600
 B                  3.24497700    0.52607800    0.04376200
 C                  5.53360300   -0.30676300   -0.50696500
 H                  4.87980100   -1.16103200   -0.68373500
 C                  2.22958400    3.57258500   -0.90517600
 C                  1.18716700    2.79672600    2.69220000
 H                  0.93510800    3.48176500    3.50499300
 H                  0.33581000    2.11757600    2.55647000
 H                  2.04013400    2.18380800    2.99835900
 C                  3.75413600   -4.74323600    0.04718200
 H                  4.10793800   -5.76912700    0.08811800
 C                  1.53144600    5.63406800    0.17216700
 H                  1.35904500    6.70482500    0.12510200
 C                  3.28379400   -4.21187800   -1.15174700
 H                  3.26458700   -4.82784100   -2.04766200
 C                  5.15084800    2.03096400    0.52717800
 H                  4.34700600    2.75919300    0.39717700
 C                  2.00607900    4.95065200   -0.94540500
 H                  2.19950600    5.49066100   -1.86884900
 C                  3.75396200   -3.95657400    1.19888900
 H                  4.10171400   -4.37375600    2.14090500
 C                  6.18623500   -0.01419500   -1.86702000
 H                  7.03929400    0.66343900   -1.79945100
 H                  6.54730800   -0.95418400   -2.29674600
 H                  5.45371500    0.41401700   -2.55769100
 C                  6.56856100   -0.77371000    0.52079100
 H                  6.08936800   -1.03468800    1.46897000
 H                  7.07266400   -1.66802700    0.14136900
 H                  7.33611600   -0.01840200    0.71392900
 C                  6.36010600    2.61812200   -0.20190100
 H                  7.26397500    2.01778000   -0.06928700
 H                  6.16801300    2.73177800   -1.27188800
 H                  6.56275700    3.61096800    0.21034100
 C                  5.40433800    1.94019400    2.03752900
 H                  6.24529600    1.28377200    2.27586700
 H                  5.62266200    2.93380700    2.44262400
 H                  4.51257500    1.55766800    2.54376600
118
D6 M062X/DGDZVP Gas phase
 Ge                -0.49214000   -0.23018800   -0.43206800
 Ge                 1.12019500   -1.48954900   -1.89521400
 N                 -2.19229900    0.53201000   -0.66088200
 C                 -4.49403600   -1.86322900    1.37713600
 H                 -3.56486700   -1.98858700    1.94032900
 N                  0.78372500    0.82682400    0.44231400
 C                 -1.42439800   -2.73143300    0.66149100
 N                 -1.64402500   -1.33235300    0.58518800
 N                  2.39864800   -0.60482000   -0.85080100
 C                  3.65172400   -1.30669500   -0.79213900
 N                  3.26866900    1.18643700    0.74666400
 N                 -4.17523400   -0.92661100    0.27929400
 C                  0.44270100    2.15979500    0.83868400
 C                  4.57391300   -1.23180400   -1.84880200
 C                 -3.02938000    2.76087800   -0.04523400
 C                  0.64545500    3.21540900   -0.07643400
 C                 -2.33835700    2.26872900   -2.34078200
 C                 -2.54483200    1.85046500   -1.00849300
 C                 -1.63319500   -3.58755600   -0.44277600
 C                 -0.89015100   -3.25620400    1.85870200
 C                 -0.09955000    2.41397100    2.10812800
 C                 -1.83493600    1.29260500   -3.37675100
 H                 -0.79020900    1.00297500   -3.19920900
 H                 -1.88397200    1.73125400   -4.37627100
 H                 -2.41585500    0.36559400   -3.37103000
 C                 -0.59983000   -4.61749200    1.94911800
 H                 -0.19294800   -5.01238900    2.87682700
 B                  2.16384200    0.49673500    0.13203800
 C                 -2.23018800   -3.10631600   -1.74481700
 H                 -1.84104900   -3.69129900   -2.58290200
 H                 -2.03723400   -2.04987500   -1.94995600
 H                 -3.31916600   -3.22635200   -1.73011600
 C                 -2.59864800    3.59487700   -2.69041200
 H                 -2.43460900    3.91617700   -3.71623800
 C                  3.90782900   -2.11615700    0.33344900
 C                 -3.06995500    4.50258000   -1.74404500
 H                 -3.26786600    5.53266400   -2.02447600
 C                 -0.61060500   -2.33415300    3.01628100
 H                  0.16984700   -1.61050200    2.75532000
 H                 -0.27897400   -2.89779300    3.89174900
 H                 -1.49729700   -1.75116400    3.28429100
 C                  2.84897100   -2.31151100    1.39114300
 H                  1.97371600   -2.83513700    0.98067100
 H                  2.48882300   -1.36272500    1.80206000
 H                  3.23385200   -2.91298800    2.21845300
 C                 -3.28635500    4.07787800   -0.43615000
 H                 -3.64775600    4.78352000    0.30852200
 C                 -4.92418000   -3.25393200    0.89586400
 H                 -5.83780800   -3.21639000    0.29379600
 H                 -5.12794100   -3.89733300    1.75779000
 H                 -4.13518800   -3.72890300    0.30822200
 C                 -0.41008600    1.28848700    3.06288200
 H                 -0.87639100    0.44535700    2.54553600
 H                 -1.09112600    1.63230100    3.84626200
 H                  0.49208800    0.90252000    3.55258800
 C                  3.23088200    3.01300400    2.53588300
 H                  4.25654000    3.39407700    2.53155700
 H                  2.84054900    3.14782600    3.55082200
 H                  2.62230700    3.61836700    1.85904500
 C                 -0.36999000    3.73719100    2.47272000
 H                 -0.78001900    3.93695700    3.46026500
 C                  1.10534100    2.93751900   -1.48557200
 H                  0.34104900    2.37214300   -2.03060200
 H                  2.03311100    2.35750400   -1.52137900
 H                  1.26759400    3.87161100   -2.02908400
 C                 -1.31846900   -4.94649300   -0.32041300
 H                 -1.47730900   -5.60101000   -1.17437000
 C                  0.35530300    4.52149700    0.31665200
 H                  0.50104800    5.33358200   -0.39090800
 C                 -0.13748600    4.78959700    1.59340200
 H                 -0.35672000    5.81044300    1.89130100
 C                  4.27036700   -0.45976800   -3.11010200
 H                  5.19387900   -0.13825300   -3.59803500
 H                  3.65503500    0.42264200   -2.91672500
 H                  3.72153600   -1.08694200   -3.82254800
 C                 -3.28971500    2.35025200    1.38222200
 H                 -3.06584900    3.17767600    2.06078300
 H                 -2.68340400    1.49169100    1.67490000
 H                 -4.33803100    2.06894900    1.52409200
 C                  5.78747300    1.02926800    0.38498900
 H                  6.18993400    1.58728900    1.23557800
 H                  6.50568300    1.13029400   -0.43621200
 H                  5.72458100   -0.02914800    0.65166700
 C                  5.78675800   -1.91831600   -1.72967500
 H                  6.51363400   -1.84820800   -2.53510100
 C                 -5.31329500   -0.51666500   -0.56538900
 H                 -6.07805700   -1.28892600   -0.42851300
 C                  3.17754400    1.52220000    2.17786900
 H                  2.18724100    1.16640200    2.46678100
 C                  4.43028800    1.58590000   -0.06366400
 H                  4.23083200    1.16193100   -1.05010000
 C                  4.54130000    3.10740400   -0.28000900
 H                  3.56197800    3.56540700   -0.44319900
 H                  5.16637000    3.30160700   -1.15840300
 H                  5.01157800    3.60962300    0.56804100
 C                 -4.96185800   -0.50051000   -2.05358700
 H                 -4.27238500    0.31773900   -2.27637100
 H                 -5.86864600   -0.33855100   -2.64484800
 H                 -4.50765500   -1.44330800   -2.36828300
 C                  5.13000000   -2.78399300    0.41916700
 H                  5.33891500   -3.40040900    1.28973800
 C                  4.17526900    0.74153700    3.05252000
 H                  4.24986400   -0.30380900    2.73914100
 H                  3.83955000    0.76803500    4.09497200
 H                  5.17665100    1.17591400    3.02313300
 C                  6.07537800   -2.67800700   -0.60065600
 H                  7.02604200   -3.19580400   -0.51971800
 B                 -2.81009000   -0.57571900    0.07842000
 C                 -0.81070600   -5.46755800    0.86463200
 H                 -0.57281100   -6.52408200    0.94055800
 C                 -5.95970100    0.82332000   -0.19084800
 H                 -6.17992700    0.88747100    0.87639800
 H                 -6.90230800    0.93734300   -0.73744400
 H                 -5.31287700    1.65965400   -0.47106100
 C                 -5.53072000   -1.28308100    2.34463300
 H                 -6.51505500   -1.18593500    1.87450000
 H                 -5.21742000   -0.29795700    2.70262800
 H                 -5.64326600   -1.94563700    3.20819100
128
1a M062X/DGDZVP Gas phase
 Ge                -1.20248900   -0.17073200    0.80702400
 Ge                 1.21832000   -0.47784800    0.89753100
 C                  2.23568500    4.19873000    2.19963500
 H                  2.28407700    4.67893200    3.17460700
 N                  2.57094300    0.79953400    0.76277100
 N                  2.51451300   -1.31278800   -0.15044600
 N                 -2.66002600   -1.04844400    0.02035800
 C                  1.99148000    4.96175300    1.06060600
 H                  1.84520400    6.03533500    1.14215100
 C                 -0.78477000   -0.68269400    2.67386700
 C                  0.53566700   -0.99573100    2.68195000
 N                 -2.24944800    1.22560700    0.14047000
 C                  1.90894000   -2.88408000   -1.90635100
 C                  2.38219400    2.19827500    0.84628800
 C                  2.09871100    2.95936200   -0.30776600
 C                  2.43469600    2.81788300    2.10950300
 C                 -2.56807100   -3.47053200    0.13517500
 C                  2.58253800   -2.60833300   -0.70142400
 C                 -3.20558000   -2.26306500    0.49065900
 C                 -1.75520800   -0.79901500    3.81498400
 H                 -2.49933000   -1.57249600    3.58924100
 H                 -2.30176500    0.13990100    3.95189400
 H                 -1.27112200   -1.05905200    4.76104700
 C                 -1.83952000    2.50054100   -0.30992700
 C                  3.30508900   -3.61573000   -0.03630600
 C                 -3.07552900   -4.67984600    0.61320400
 H                 -2.58222000   -5.60720700    0.33273900
 C                  2.67301500   -5.18351300   -1.77565100
 H                  2.70872800   -6.18506700   -2.19344800
 C                 -1.34135200   -3.44493300   -0.73925100
 H                 -1.04313700   -4.45381900   -1.03481800
 H                 -0.48182400   -3.00144900   -0.21589700
 H                 -1.51231900   -2.84439400   -1.63775800
 C                 -4.31784400   -2.28411500    1.35960000
 C                  1.16047900   -1.78276900   -2.61282100
 H                  0.34271500   -1.39606500   -1.99245500
 H                  0.73159100   -2.13954600   -3.55247900
 H                  1.82058300   -0.93526400   -2.82697800
 C                  1.96183000   -4.17815000   -2.42935500
 H                  1.44232800   -4.39747900   -3.35912900
 C                 -4.19733000   -4.71096200    1.43889600
 H                 -4.58548200   -5.65774700    1.80183700
 C                  3.34299800   -4.89845100   -0.58633000
 H                  3.90288400   -5.68024300   -0.07841800
 C                  4.03330500   -3.27829900    1.23871400
 H                  3.33617300   -2.91577100    2.00217900
 H                  4.76035400   -2.47554800    1.07260000
 H                  4.56036900   -4.14896400    1.63548200
 C                 -4.80500400   -3.51462500    1.81003100
 H                 -5.66563000   -3.52816400    2.47467300
 C                  1.92331000    4.33807600   -0.18426900
 H                  1.70763200    4.92464600   -1.07342300
 C                  1.98194800    2.28565900   -1.65160000
 H                  1.61425800    2.98856300   -2.40387800
 H                  1.27957700    1.44277400   -1.60587100
 H                  2.94349900    1.87999300   -1.98971100
 C                  1.33010700   -1.53435400    3.84153100
 H                  0.91761000   -1.22686300    4.80740500
 H                  2.37036200   -1.20002800    3.79462700
 H                  1.33680500   -2.62954900    3.81534300
 C                  2.70130900    1.99259800    3.34266500
 H                  2.90991800    2.63340000    4.20287100
 H                  3.54908500    1.31951600    3.18621600
 H                  1.83597500    1.36682000    3.59345500
 C                 -4.96527800   -1.00562000    1.83004700
 H                 -5.61379800   -0.57248400    1.06263900
 H                 -4.21708600   -0.24203000    2.07291300
 H                 -5.56941600   -1.18998600    2.72217900
 C                 -1.47986500    1.56540400   -2.63437300
 H                 -0.90499400    0.72683200   -2.22170600
 H                 -1.01215400    1.86674400   -3.57547800
 H                 -2.47861100    1.17556800   -2.85453100
 C                 -1.52075200    2.71899300   -1.66441500
 C                 -1.22587200    4.01843500   -2.08659400
 H                 -1.00283100    4.19668100   -3.13597300
 C                 -1.20818100    5.07864200   -1.18329800
 H                 -0.98224900    6.08425600   -1.52602800
 C                 -1.44234700    4.83561300    0.16806100
 H                 -1.38265400    5.65090000    0.88428700
 C                 -1.75226800    3.55271000    0.62023400
 C                 -2.01053400    3.27765600    2.07794900
 H                 -3.00463500    2.84346700    2.22495700
 H                 -1.93034300    4.19316700    2.66768600
 H                 -1.28460700    2.55845400    2.47567600
 N                 -4.43160200    0.49955400   -1.09383900
 B                 -3.23226300    0.25485000   -0.37714400
 C                 -5.09864300   -0.64644400   -1.74327800
 H                 -4.80594200   -1.52640400   -1.16473300
 C                 -4.92825000    1.88229200   -1.22645900
 H                 -4.11780600    2.51060400   -0.85335300
 C                 -4.58192700   -0.88162500   -3.16905400
 H                 -4.84625600   -0.06095500   -3.84197600
 H                 -5.00488900   -1.80529300   -3.57816400
 H                 -3.49251000   -0.98528100   -3.15788500
 C                 -6.62897500   -0.62159200   -1.70867700
 H                 -7.00930100   -0.50614700   -0.69071800
 H                 -7.00042900   -1.57468800   -2.09673300
 H                 -7.05451700    0.17131100   -2.32890700
 C                 -5.18831000    2.34719200   -2.66382400
 H                 -6.02349900    1.82073400   -3.13328700
 H                 -4.30332300    2.22196000   -3.29336600
 H                 -5.43769100    3.41264700   -2.65050700
 C                 -6.13230500    2.19246800   -0.32336600
 H                 -7.06705400    1.76898200   -0.69755100
 H                 -6.26509700    3.27735100   -0.25862100
 H                 -5.95514900    1.81329000    0.68742500
 N                  4.60849400    0.14505500   -0.72156400
 B                  3.34875700   -0.09961000   -0.11700300
 C                  5.33789700    1.37133400   -0.34804800
 H                  4.57935700    2.05520600    0.03792600
 C                  5.19110100   -0.86033400   -1.62673300
 H                  4.58015600   -1.75473800   -1.49306400
 C                  6.33103700    1.15334900    0.80413500
 H                  7.23830400    0.63498400    0.48216700
 H                  6.62979500    2.12111400    1.22071200
 H                  5.86054700    0.56901400    1.60141500
 C                  6.00072100    2.10702000   -1.51640700
 H                  5.28480700    2.30411200   -2.31953000
 H                  6.37775200    3.06916800   -1.15690200
 H                  6.85003100    1.55775800   -1.93312700
 C                  6.62331100   -1.27945900   -1.28069400
 H                  7.35032800   -0.48843100   -1.48264800
 H                  6.70797500   -1.56851600   -0.22911000
 H                  6.90023900   -2.14256600   -1.89440300
 C                  5.06896300   -0.49548900   -3.11482000
 H                  5.78460800    0.27028300   -3.42314500
 H                  5.25073500   -1.38589000   -3.72609400
 H                  4.06039900   -0.13295700   -3.33565900
128
TS3 M062X/DGDZVP Gas phase
 Ge                 1.07930200   -0.20830100    0.66409900
 N                  2.58240100    0.89340100    0.45329900
 N                 -2.43459700   -0.43310600    0.99389900
 C                  2.69339700    3.32160100    0.63049900
 C                  3.08369900    2.04880200    1.08519900
 C                  4.02599900    1.91810300    2.12359900
 C                  2.04960500   -2.36010000   -1.16680100
 C                  1.71859700    3.44450000   -0.51010100
 H                  1.63699500    4.47910000   -0.85080100
 H                  2.02759800    2.81850000   -1.35430100
 H                  0.71929700    3.10829800   -0.20960100
 C                  2.10190700   -3.65190000   -0.60830100
 C                  1.66020300   -0.79930000   -3.11600100
 H                  1.36210300   -0.83360100   -4.16640100
 H                 -2.31570500    4.47619400   -3.78850100
 H                 -3.13549600   -1.46180700    4.72559900
 C                  1.83380900   -4.75540000   -1.42250100
 H                  1.87471000   -5.75370000   -0.99320100
 C                  4.42890100    0.54020400    2.58469900
 H                  3.54170200   -0.00349800    2.92439900
 H                  5.15000100    0.58610500    3.40369900
 H                  4.86530200   -0.04159600    1.76639900
 C                 -4.13780300    3.19339100   -0.60510100
 C                  6.60940000    1.28760700   -0.71240100
 H                  4.60699900    1.93570400   -0.59870100
 H                  1.68640700   -3.39750000    1.49379900
 H                  1.32621000   -5.45940100   -3.39460100
 C                  1.49150700   -3.31140100   -3.32040100
 H                  2.54760900   -4.89119900    1.09509900
 C                  4.18949600    4.33340300    2.25489900
 H                  3.39710700   -3.32729800    1.08369900
 C                 -1.95169300   -3.30600600    3.28729900
 H                  4.61689400    5.22250400    2.70829900
 C                  1.53020900   -4.59320100   -2.77260100
 H                  4.29650500   -2.03829600   -1.58110100
 C                  3.25609500    4.45300200    1.22649900
 H                  2.96489400    5.43870200    0.87189900
 Ge                -1.22210000    0.99729500    0.67699900
 N                  2.28920400   -1.25139900   -0.33360100
 N                 -2.64190000    1.24749300   -0.56860100
 C                  1.73970500   -2.18650000   -2.53200100
 C                 -3.07920200    2.44659300   -1.16270100
 C                 -1.60589400   -2.69900500    0.57479900
 C                 -2.12659600   -1.72820600    1.45679900
 C                  6.10950500   -1.90599400   -0.50770100
 H                  5.29769800    2.88140500   -2.62250100
 H                  4.04739900    1.69750300   -3.03370100
 H                  6.67280100    0.92480700    0.31779900
 C                 -2.32439500   -2.04410600    2.81739900
 C                  5.72160400   -1.26039400   -2.91870100
 H                  6.62630300   -0.64739300   -2.95710100
 H                  5.29499800    2.96640500    3.50209900
 H                  5.00500300   -0.87669500   -3.64990100
 C                  4.56899700    3.06740400    2.69919900
 H                  6.00080500   -2.27429400   -3.22040100
 C                 -2.97289700   -1.03780700    3.73149900
 H                  7.29120100    0.69960800   -1.33410100
 H                  6.35380600   -2.93569300   -0.78970100
 H                  5.66880500   -1.92639400    0.49349900
 C                 -2.41610200    2.91879400   -2.31390100
 C                  2.45490700   -3.83149900    0.84659900
 H                  7.04420400   -1.34189200   -0.46130100
 H                 -3.93679700   -0.71330800    3.32499900
 H                  1.25150700   -3.17930100   -4.37250100
 C                 -4.52900400    4.38519100   -1.21990100
 H                  6.96039900    2.32410700   -0.72790100
 C                 -2.82710400    4.11809300   -2.89820100
 H                  5.75650000    1.34200600   -3.35030100
 C                 -1.22639200   -3.94550500    1.08059900
 H                  0.92750200   -0.18600100   -2.57630100
 C                 -3.88080500    4.85509200   -2.35930100
 H                 -5.47730100    1.83908900    0.41549900
 C                 -1.38599200   -4.25100500    2.43189900
 H                 -5.48550300    3.49538900    1.04559900
 C                  0.30220200   -0.03480200    2.97459900
 C                 -0.35120000    1.03399700    3.01509900
 C                  5.06509900    1.81160500   -2.64790100
 H                  2.62180200   -0.27999900   -3.04440100
 H                 -2.54919500   -2.32800600   -1.32210100
 H                 -1.03289300   -3.24450400   -1.43180100
 C                 -1.53909500   -2.43060500   -0.90830100
 H                 -1.01759600   -1.49700400   -1.14880100
 H                 -4.39919500   -1.93860900    0.94679900
 H                 -2.35619800   -0.13990600    3.83139900
 N                  4.49520200   -0.05989600   -1.04920100
 B                  3.24850200   -0.12069800   -0.37360100
 C                  5.11170400   -1.31789500   -1.51690100
 H                 -0.43350100    2.05419700   -2.21810100
 C                 -5.09049800   -0.08071000   -1.83980100
 H                 -1.60640000    1.07979500   -3.09430100
 C                 -4.84950200    2.70889000    0.63269900
 H                 -1.09159000   -5.22530400    2.81019900
 H                 -4.14160200    2.39359100    1.40759900
 H                 -4.19030700    5.78729100   -2.82160100
 C                 -1.28810100    2.10979500   -2.90300100
 H                 -2.10639300   -3.54850600    4.33609900
 H                 -0.93690200    2.55019600   -3.83910100
 H                 -4.68519900    0.92099000   -1.98540100
 C                 -5.41899400   -2.92631100   -0.60840100
 H                 -5.34910500    4.95268900   -0.78630100
 H                 -4.51989300   -3.25820900   -1.13560100
 H                 -0.81549100   -4.68630400    0.39799900
 C                 -6.38529600   -1.23871200    1.01259900
 H                 -7.28419600   -1.14101300    0.40079900
 H                 -6.58949500   -1.99561200    1.77769900
 H                 -6.20529800   -0.28601200    1.51999900
 N                 -4.52539700   -0.55970900   -0.56060100
 B                 -3.31939800    0.02789200   -0.08520100
 C                  5.16720000    1.24130500   -1.22380100
 H                 -6.22199400   -2.79391200   -1.33840100
 C                 -5.14549600   -1.65651000    0.20299900
 H                 -7.14319700   -0.86661300   -1.84550100
 C                 -4.60549700   -0.90330900   -3.04220100
 H                 -6.88709900    0.58968700   -2.80480100
 H                 -5.72439300   -3.72611100    0.07339900
 H                 -5.03689500   -1.90771000   -3.06470100
 C                 -6.61189800    0.08828800   -1.87210100
 H                 -3.51539700   -0.99530800   -3.01740100
 H                 -6.96519900    0.70708700   -1.04340100
 H                 -4.88179800   -0.39771000   -3.97380100
 C                  0.81990400   -1.28200200    3.60909900
 H                  0.41220500   -2.15520200    3.08979900
 H                  1.91100400   -1.32900000    3.54159900
 H                  0.52870400   -1.33520200    4.66179900
 C                 -1.01000100    2.19979600    3.65709900
 H                 -1.16420100    2.00959600    4.72399900
 H                 -0.39250300    3.09469700    3.54709900
 H                 -1.97460200    2.42449400    3.18229900
