PROP STRING INITIAL_KEYWORDS 5 BEGIN
   "TSOPT"
   "B3LYP"
   "6-31G*"
   "FREQ"
   "OPTCYCLES=9000"
END
PROP STRING PREFERENCE_KEYWORDS 1 BEGIN
   "MM:CONF_SELECTION_RULE=2"
END
PROP STRING CALCULATION_PRODNAME = "MacSPARTAN '14"
PROP STRING CALCULATION_VERSION = " 14.119_"
PROP STRING CALCULATION_TARGET = "x86/Darwin"
PROP STRING CALCULATION_CPUTARGET = "P4e"
PROP STRING CALC_MACHINEHOSTNAME = "ngmac.ch.liv.ac.uk"
PROP STRING CALC_START_TIMESTAMP = "Wed Jun 22 15:06:49 2016"
PROP STRING CALC_START_TIMESTAMP2 = "2016-06-22 15:06:49.957"
PROP STRING CALCULATION_EXE_PATH = "/Applications/Spartan 14.app/Contents/SharedSupport/P4e"
PROP STRING CALCULATION_EXE_TIME = "2015-04-16 21:03"
PROP STRING CALCULATION_PATCH_LEVEL = "p1.0.0"
PROP VALUE:STATIC ORIGINAL_ATOM_COUNT =       35.00000000 
PROP VALUE:BYATOM:STATIC ORIGINAL_COORDS 35  3 BEGIN
    -1.4793667690    3.4865066040   -1.0557349740   -1.2101134010    3.2639852440 -0.030400174000 
    -0.4546018600    3.9622144880    0.3050024210   -2.1005824700    3.3829192180    0.5782295290 
    -0.7567241370    1.8424600640  0.066712559000    0.3314659780    1.5123210820    0.6709283300 
     0.9694744940    2.1565297850    1.1009400190   -1.4123939470    0.7297683820   -0.5903197900 
    -1.9415945270    0.9815526450   -1.4928029240   -2.1456818160   -0.2030661260    0.2940905000 
    -2.0161520650   -0.1872211510    1.5096602530    0.7298643100    0.1199827590    0.5147705320 
     0.2460102350   -0.5088674810    1.2443989890    2.2245087730  0.008223229000    0.5675150930 
     2.9177357830    1.0036599950    0.6613170790    0.1424757670   -0.3161901540   -0.9075979450 
     0.8056677970    0.4379205170   -2.0710873580    1.7791977620 -0.007031280000   -2.2498072840 
     0.9325390340    1.4967405020   -1.8970430810    0.2086031680    0.2819743460   -2.9595582180 
  -0.048140093000   -1.5613090480   -1.0503004270    2.7504778920   -1.4016443220    0.5009556460 
     2.1165876720   -1.9668722620   -0.1717568470    2.6131242330   -1.8337177960    1.4911778770 
     4.2324423210   -1.4515776550    0.1079268480    4.5973752860   -2.4705220320    0.1452281620 
     4.8236954880   -0.8425755770    0.7787844580    4.3737415380   -1.0759186170   -0.8986207360 
    -2.9605200700   -1.2397604030   -0.4344757320   -2.2211403480   -1.8186664210   -0.9834732950 
    -3.6127036130   -0.7527139490   -1.1522389720   -3.7573075370   -2.1306753660    0.5254984020 
    -3.0898904120   -2.6079733900    1.2302064020   -4.2875418440   -2.8982956600 -0.025749420000 
    -4.4769136180   -1.5491260850    1.0893728530 
END
PROP STRING INPUT_STRUCT_HASH1 = "a44e134614c5b4ee73be256d9bcfc6bc"
PROP VALUE SCF_ITERS =       4.000000000 
PROP VALUE SCF_CTIME =       22.82491800 
PROP VALUE SCF_WTIME =       22.83290000 
PROP VALUE SCF0_TIME 1  2 BEGIN
    22.8249180000   22.8329000000 
END
PROP VALUE CORR_ENERGIES 1 BEGIN
  -744.4467315662 
END
PROP VALUE QM_DIPOLE 3 BEGIN
    -0.8859389348    5.5388652622   -0.4754800280 
END
PROP VALUE QM_QUADPOLE 6 BEGIN
   -13.0590074231   23.8666144426  -10.8076070195  -31.3619675862   19.2360571383  -10.8164156046 
END
PROP VALUE QM_OCTPOLE 10 BEGIN
  -182.5547694722  379.5946629747   16.4452913702 -384.1954419770 -251.4513323519  -88.1133349000 
   -57.1719811500  270.6681043722  235.0060409817    4.6007790023 
END
PROP VALUE QC0_TIME 1  2 BEGIN
    33.0000000000   34.5600050000 
END
PROP VALUE QC_MEMSTAT 1 BEGIN
   153.5539474487 
END
PROP VALUE  LASTERROR_RC = 125
PROP STRING LASTERROR = "User Terminated Program"