0 1
C 1.49494800 -36.55195800 36.43805000
C 0.20114200 -37.34714000 36.41258600
O 0.16996100 -38.48394500 36.86913600
C 1.73098000 -36.06101200 37.86302200
C 0.67000200 -35.03298000 38.34297800
C 3.16900400 -35.51300700 37.96198100
C 0.62000600 -34.81100200 39.86100000
N -0.90118100 -36.78984700 35.86062900
C -2.16120400 -37.51554300 35.72576700
C -3.41401300 -36.64414200 35.86338000
C -3.40701700 -35.96439500 37.23378100
O -3.47238900 -35.60099500 34.90396800
H -0.84432700 -35.85868500 35.47003500
H -4.18791500 -35.01183800 35.17170300
C 2.93895000 -40.77190900 37.56096100
C 3.16122200 -41.26419700 36.12975900
C 3.13520900 -40.08014800 35.14283200
C 2.11533500 -42.32866000 35.70871300
C 3.79805600 -40.43098500 33.80902400
C -0.40498000 -39.97695300 41.34702200
C -1.34503200 -41.14896900 41.16999500
O -2.47399000 -41.13401000 41.65902300
C -0.44091100 -39.13889600 40.09798600
C -1.74408900 -38.36419200 39.92292500
O 0.50198100 -38.11198900 40.23297700
H 1.39115100 -38.47979800 40.14453200
N -0.89500300 -42.23800100 40.50297900
C -1.65314700 -43.47712000 40.39803600
C -0.87089600 -44.52504900 39.56496500
C -0.89259700 -44.30101700 38.03857600
C 0.19997400 -45.16381100 37.37799100
C -2.27202300 -44.63315100 37.43313600
H 0.04519700 -42.22547000 40.12995700
C -5.83900200 -42.02099100 43.20000200
C -5.90809800 -41.81003500 41.66190000
C -5.92185300 -40.34797200 41.29714100
C -6.77701100 -39.43500100 41.94198700
C -5.14405500 -39.88499600 40.22593200
C -6.81899000 -38.09199900 41.55800600
C -5.20733800 -38.54672600 39.81831600
C -6.03512100 -37.64703000 40.49289600
N -1.50143500 -47.73007900 30.88628400
C -6.46934700 -45.15061000 32.61392800
C -5.78270800 -45.82451300 31.68303600
C -4.34408400 -45.68781300 31.56819100
C -3.57976300 -46.58566900 30.93558700
C -2.11284100 -46.54434600 31.05474900
C -0.07595200 -47.86135100 30.63820200
C 0.17558500 -48.90990400 29.54969100
C 0.11876000 -50.32960300 30.11472400
C -0.78940500 -48.73480600 28.36689100
C -7.89672700 -45.37996900 32.98682800
C -8.73972000 -44.08200900 32.97564200
C -8.07296600 -43.07413300 33.86144500
C -8.42588800 -42.77371300 35.11973600
C -7.56468900 -42.00627300 36.02594400
C -6.22092800 -42.07382800 35.98016300
C -5.29172000 -41.29393200 36.78658100
C -3.96313700 -41.47832900 36.71909600
C -2.93450200 -40.74186000 37.52184200
O -1.47914400 -45.51094900 31.32805900
H -2.08740300 -48.53240200 30.69758100
H 1.46492700 -35.70849400 35.73719800
……（后略）
报错信息：
SCF Done: E(RM062X) = -2459.61577613 A.U. after 15 cycles
NFock= 15 Conv=0.18D-08 -V/T= 2.0044
KE= 2.448735301406D+03 PE=-2.223838407583D+04 EE= 9.070098114985D+03
GEWDen is stupid about Cholesky+NBsUse<NBasis.
Error termination via Lnk1e in /home/scicons/gaussian16B/g16_avx/g16/l502.exe at Fri Jun 2 00:45:11 2023.
Job cpu time: 0 days 23 hours 55 minutes 56.0 seconds.
Elapsed time: 0 days 1 hours 0 minutes 4.5 seconds.
File lengths (MBytes): RWF= 2866 Int= 0 D2E= 0 Chk= 217 Scr= 1