 22 
c3n2-cu2 a = 8.00
C 6.702737952 2.874168584 7.23101247 
C 6.703066368 5.125222768 7.22135451 
C 5.12379912 1.296072048 7.82581788 
C 4.697378456 -0.001915864 8.148752025 
C 2.872393768 1.296079464 7.82459802 
C 3.298498272 7.998099584 8.14790619 
C 2.872506544 6.705443832 7.8037857 
C 5.123618992 6.705414944 7.80494781 
C 1.293183384 5.125230632 7.22001342 
C -0.002050512 4.697623328 6.887779875 
C 1.293561496 2.874205632 7.229626815 
C 7.997958584 3.2987254 6.8935434 
N 6.393283704 1.604912776 7.52865864 
N 1.602176712 6.396129912 7.510690695 
N 6.394070936 6.396091488 7.512401895 
N 1.603074968 1.60492696 7.526826465 
N 5.897155528 4.000038824 7.364751225 
N 3.998138944 2.104185464 7.70049852 
N 3.998099616 5.90107648 7.65919956 
N 2.099304888 4.000065256 7.36267713 
Cu1 3.998108264 4.0006824 7.522709565 
Cu2 7.997356952 -0.003733064 7.52244825 
 22 
c3n2-cu2 a = 8.04
C 6.73527167832 2.8950181152 7.25614548 
C 6.73528454232 5.14491199308 7.256190675 
C 5.1429388002 1.30264336476 7.78412712 
C 4.7160193428 3.546444e-05 8.09054328 
C 2.89314449772 1.30266014424 7.784479605 
C 3.32010073812 8.0400405618 8.0908044 
C 2.89314461028 6.73747157508 7.784346615 
C 5.14295147124 6.73751093088 7.783986885 
C 1.30097746872 5.1448657068 7.2564054 
C -0.0018264066 4.71782510268 6.9521154 
C 1.30099350048 2.89504067544 7.256351595 
C 8.03815552752 3.32208873264 6.952068975 
N 6.41833185528 1.6197368724 7.520565405 
N 1.61768607744 6.42015146004 7.521142875 
N 6.4184193948 6.42025417908 7.520587635 
N 1.61775219036 1.61981796384 7.52109531 
N 5.92633930716 4.01999805432 7.383036495 
N 4.01805846864 2.11092805764 7.65406911 
N 4.01807042412 5.92924104768 7.65370674 
N 2.11001236596 4.01998925856 7.38317358 
Cu1 4.01807019096 4.02004368132 7.520139225 
Cu2 8.03731400484 -0.00153235968 7.524918285 
 22 
c3n2-cu2 a = 8.08
C 6.7672294316 2.91463959376 7.287540915 
C 6.76727716016 5.16544704808 7.2876759 
C 5.16334266864 1.31081107952 7.753003005 
C 4.73468081184 0.00025966696 8.024364405 
C 2.91285067368 1.31084823944 7.75321935 
C 3.3415137748 8.08025874584 8.0244873 
C 2.9128221028 6.76980870496 7.752917895 
C 5.16337626528 6.76985016344 7.752696975 
C 1.3091415576 5.165426032 7.287876585 
C -0.00180707584 4.73647596968 7.02058116 
C 1.30918584408 2.91465846864 7.28773866 
C 8.07819144552 3.34357699472 7.02045186 
N 6.44325564232 1.63492920184 7.52108766 
N 1.63275205392 6.44521134976 7.521521715 
N 6.44350892608 6.44536301944 7.52116341 
N 1.63299968168 1.6350749004 7.521438825 
N 5.95440326376 4.04014552888 7.39597668 
N 4.03815853568 2.12275688288 7.638243675 
N 4.03816223632 5.95790682448 7.63748658 
N 2.12201629432 4.04014308064 7.396217625 
Cu1 4.03814340184 4.04024807216 7.518509235 
Cu2 8.07579247736 -0.00510525912 7.525800675 
 22 
c3n2-cu2 a = 8.12
C 6.79910456176 2.93344415952 7.323662835 
C 6.79921600876 5.18709254812 7.323610125 
C 5.18482695444 1.31982181996 7.71686625 
C 4.7532049278 0.0006694128 7.94028087 
C 2.93152128668 1.31990604872 7.717035855 
C 3.36306005896 8.12067548656 7.940368335 
C 2.93141000208 6.8017407766 7.716817755 
C 5.18490800016 6.80180858672 7.716648165 
C 1.31757573864 5.18704230968 7.32376179 
C -0.0016496998 4.75525960448 7.10268411 
C 1.31770237004 2.9335246206 7.32381381 
C 8.11835408412 3.36519081192 7.102780755 
N 6.46879396436 1.64974623016 7.521387765 
N 1.64713149272 6.47099611648 7.52160765 
N 6.46938445888 6.47127755568 7.521311835 
N 1.64775825928 1.65005937796 7.52168223 
N 5.98195419192 4.06054331732 7.40716383 
N 4.05831598508 2.13652060412 7.6280544 
N 4.0582988194 5.98500318696 7.627508715 
N 2.13483274032 4.06055846924 7.407323205 
Cu1 4.05833051988 4.0606864242 7.519595925 
Cu2 8.11274954644 -0.01283941708 7.526033775 
 22 
c3n2-cu2 a = 8.16
C 6.83081100672 2.95978015296 7.38170391 
C 6.83212641504 5.20980702288 7.38221913 
C 5.20345943232 1.34138350944 7.67617965 
C 4.77069050304 0.01157742432 7.84200723 
C 2.95396541856 1.34243239584 7.666037685 
C 3.38381994672 8.1720151104 7.836029625 
C 2.95125293664 6.8465083008 7.66320225 
C 5.20401911856 6.8461111128 7.673357925 
C 1.32550315392 5.21091621168 7.359605025 
C -0.00261447216 4.7778152112 7.197852885 
C 1.32829382496 2.96093491536 7.35907035 
C 8.15780917872 3.3909844512 7.1980803 
N 6.48782925024 1.67540688336 7.52784663 
N 1.65992489904 6.502541412 7.511232225 
N 6.49639923312 6.50214743904 7.528505715 
N 1.67125354128 1.6778484696 7.510812435 
N 6.01312852896 4.08919288464 7.46209599 
N 4.079349444 2.160471996 7.607631795 
N 4.07795998368 6.02572353792 7.599695535 
N 2.1469687872 4.090646964 7.419177315 
Cu1 4.0789444632 4.09188721056 7.52364063 
Cu2 8.14567680912 -0.20741082288 7.52401581 
 22 
c3n2-cu2 a = 8.18
C 6.84443362486 2.97342864212 7.399901655 
C 6.84701876662 5.22195861682 7.40098977 
C 5.21238040942 1.3526716304 7.644834945 
C 4.78067541246 0.0171914152 7.778780445 
C 2.96386070062 1.35276507872 7.64324223 
C 3.39522181856 8.19721743578 7.77780222 
C 2.96164187562 6.8679478774 7.63891275 
C 5.21441264862 6.867949268 7.640673105 
C 1.32946462684 5.22209668704 7.39716273 
C -0.001976288 4.78909913556 7.25636412 
C 1.33213486514 2.97352865898 7.396234575 
C 8.17805690644 3.40382501086 7.256193795 
N 6.49550864098 1.69016680662 7.519257225 
N 1.66740475416 6.51716515008 7.51763259 
N 6.50883562786 6.51715983308 7.52060931 
N 1.68094733312 1.69042688154 7.51674774 
N 6.02559028322 4.10418394004 7.461392115 
N 4.08821840418 2.1721189178 7.59632544 
N 4.08812093948 6.04577790154 7.58444274 
N 2.15116010544 4.10432474238 7.454306895 
Cu1 4.08819779876 4.10701044088 7.52506386 
Cu2 8.17515568948 -0.29929541876 7.523129775 
 22 
c3n2-cu2 a = 8.20
C 6.8591584188 2.9865816632 7.47321867 
C 6.8615257506 5.2326222202 7.475762115 
C 5.2213061218 1.3623472702 7.565445195 
C 4.7890625804 0.0219812562 7.622157915 
C 2.9749939152 1.362510483 7.565640795 
C 3.4069872008 8.222094408 7.6222671 
C 2.972351416 6.8885977144 7.56587316 
C 5.2234368426 6.8884061788 7.565709555 
C 1.3345784704 5.2328695486 7.47593517 
C -0.0019137816 4.7992005192 7.42260939 
C 1.337311473 2.9868659982 7.473400005 
C 8.1981980992 3.4176096858 7.421099685 
N 6.5059847058 1.7023687982 7.516866105 
N 1.6751135726 6.531845956 7.521093765 
N 6.520663575 6.5315538146 7.52077335 
N 1.6904272858 1.7027138214 7.51721562 
N 6.0374931218 4.1172774574 7.49714019 
N 4.0982141794 2.1836505864 7.54281201 
N 4.0978815874 6.0636790346 7.540349895 
N 2.1588816008 4.117638569 7.497315105 
Cu1 4.0981279564 4.1213192046 7.521061755 
Cu2 8.1965744336 -0.3750187016 7.526253495 
 22 
c3n2-cu2 a = 8.22
C 6.87470568402 2.99744209506 7.509912915 
C 6.87726075594 5.2443101046 7.51141734 
C 5.2320102309 1.3692356907 7.528679985 
C 4.79946958116 0.02446442976 7.54377069 
C 2.98422514062 1.36939192824 7.529424255 
C 3.41651179236 8.2445507562 7.54434738 
C 2.9815900059 6.90713849136 7.530184395 
C 5.23425008226 6.9070050972 7.52926866 
C 1.33872371652 5.24450929986 7.51242246 
C -0.00197367954 4.81067338362 7.50490827 
C 1.34157233286 2.9976857112 7.510748715 
C 8.21811372372 3.42830047248 7.503738825 
N 6.5165364378 1.71373567698 7.517493615 
N 1.68341920728 6.544917303 7.521265365 
N 6.53240216394 6.54468194796 7.519803255 
N 1.69981029828 1.71405846816 7.518511545 
N 6.05318259198 4.12946038146 7.51177065 
N 4.10817254604 2.18992650774 7.52198802 
N 4.10788890672 6.08188882122 7.52199081 
N 2.16297267564 4.12977454986 7.51311435 
Cu1 4.10793576894 4.13352356856 7.519142355 
Cu2 8.21747207052 -0.41796235644 7.52609619 
 22 
c3n2-cu2 a = 8.24
C 6.89026281032 3.00848136688 7.511244405 
C 6.89268359872 5.256150564 7.513061925 
C 5.2429827556 1.37747179368 7.526742885 
C 4.81027858552 0.02816685792 7.54075479 
C 2.99330019688 1.37763623112 7.526762415 
C 3.4257333616 8.26828144336 7.54079403 
C 2.99075740704 6.92694955632 7.52963736 
C 5.24503112896 6.9267901288 7.529523645 
C 1.34328461048 5.25640432304 7.51319577 
C -0.00199450024 4.82289425624 7.50719826 
C 1.3460250532 3.0087461428 7.51129044 
C 8.2381172424 3.43910141024 7.506071865 
N 6.52663134664 1.72612635696 7.517844915 
N 1.6923150084 6.55805541888 7.521151335 
N 6.54343236056 6.55773987632 7.520887995 
N 1.709752002 1.72646664424 7.5178488 
N 6.06947056816 4.14199471888 7.51287252 
N 4.1182131148 2.19708507312 7.519586715 
N 4.11787801872 6.10219541504 7.52400177 
N 2.16671057912 4.14234244688 7.51300647 
Cu1 4.11801777736 4.14674248328 7.51932219 
Cu2 8.23726255664 -0.47711329576 7.52719956 
