Применение неэмпирических и полуэмпирических методов в квантово-химических расчетах. Кобзев Г.И. - 99 стр.

    ----------------
    PROPERTIES INPUT
    ----------------

  MOMENTS      FIELD     POTENTIAL     DENSITY
IEMOM =   1 IEFLD =  0 IEPOT =   0 IEDEN =   0
WHERE =COMASS WHERE =NUCLEI WHERE =NUCLEI            WHERE
=NUCLEI
OUTPUT=BOTH    OUTPUT=BOTH     OUTPUT=BOTH
OUTPUT=BOTH
IEMINT=  0 IEFINT=   0         IEDINT=   0
                       MORB =    0

    EXTRAPOLATION IN EFFECT
    SOSCF IN EFFECT

   ----------------------
   INTEGRAL INPUT OPTIONS
   ----------------------
NOPK =       1 NORDER=    0 SCHWRZ=   F

ATTENTION! AO INTEGRALS WILL BE PACKED.
THRESHOLD FOR PACKING PKTHR = 0.10000000D-01
  -------------------------------
  INTEGRAL TRANSFORMATION OPTIONS
  -------------------------------
  NWORD =             0 CUTOFF = 1.0E-09
  MPTRAN =            0 DIRTRF =             F
  AOINTS =DUP                IREST =         0
  ------------------------------------------
  THE POINT GROUP IS C1 , NAXIS= 0, ORDER= 1
  ------------------------------------------

 DIMENSIONS OF THE SYMMETRY SUBSPACES ARE
A = 28

..... DONE SETTING UP THE RUN .....

CPU    TIME: STEP = 0.03 , TOTAL =     0.1 SECONDS ( 0.0 MIN)
WALL CLOCK TIME: STEP =    0.04 , TOTAL =    0.0 SECONDS ( 0.0
MIN)
CPU UTILIZATION: STEP = 82.71%, TOTAL = 248.10%

    ********************
    1 ELECTRON INTEGRALS
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