Compare old and new charges for following atoms Old charges from mmp2_full_r_06_final_geom_oldchg.gjf. New charges from respfit/mmp2_full_r_06_final_4ESP_RESP.qout Atom Type OldCharge NewCharge SerialNum LineNum ChargeNum Layer X Y Z C CC -0.0015470 0.5363310 4303 4312 1 H 51.4868800 37.9864470 51.5443530 N NA -0.2057850 -0.5811910 4304 4313 2 H 52.2858690 37.7992850 52.6749660 H H 0.3182730 0.4474010 4305 4314 3 H 53.2832350 37.8072770 52.7258380 C CR 0.1472730 0.0112340 4306 4315 4 H 51.4730280 37.5760780 53.7717140 H H5 0.1221820 0.2462700 4307 4316 5 H 51.8116780 37.3969370 54.7994680 N NB -0.6014820 0.0203090 4308 4317 6 H 50.1729370 37.6647710 53.3423680 C CV 0.0437440 -0.7420440 4309 4318 7 H 50.1637950 37.9035980 51.9678170 H H4 0.1101570 0.4886820 4310 4319 8 H 49.2211130 38.1092780 51.3539580 C CT -0.0339090 -0.0049580 4320 4329 9 H 47.5249660 38.5578720 48.1743690 H HC -0.0041350 0.0144700 4321 4330 10 H 48.4644640 39.0922060 47.9792000 H HC -0.0041350 0.0286810 4322 4331 11 H 46.7331050 39.1099700 47.6539230 C C 0.7651880 0.7632940 4323 4332 12 H 47.2320040 38.5087980 49.6627540 O O2 -0.8240350 -0.9021140 4324 4333 13 H 48.0432290 39.0572140 50.4911030 O O2 -0.8240350 -0.7923290 4325 4334 14 H 46.2235500 37.9245990 50.1325330 C CC -0.0015470 0.5946230 4362 4371 15 H 47.5792100 33.5698130 52.2427310 N NA -0.2057850 -0.7243480 4363 4372 16 H 47.3225760 33.2107750 53.5679520 H H 0.3182730 0.5062250 4364 4373 17 H 46.8874300 32.3987230 53.9482630 C CR 0.1472730 0.1296090 4365 4374 18 H 47.6729520 34.2606300 54.3950960 H H5 0.1221820 0.1740160 4366 4375 19 H 47.5624140 34.2870240 55.4838370 N NB -0.6014820 0.0012240 4367 4376 20 H 48.1730400 35.2591750 53.6036510 C CV 0.0437440 -0.6044980 4368 4377 21 H 48.1163110 34.8512870 52.2722540 H H4 0.1101570 0.3282910 4369 4378 22 H 48.4321830 35.4923530 51.4404820 C CC -0.0015470 0.6276750 4447 4456 23 H 49.6913010 35.8063580 58.1421450 N NA -0.2057850 -0.7549950 4448 4457 24 H 48.4926110 36.4417490 58.4871610 H H 0.3182730 0.4928970 4449 4458 25 H 47.9932790 36.4158820 59.3490260 C CR 0.1472730 0.3588360 4450 4459 26 H 47.9843270 37.0883150 57.3709900 H H5 0.1221820 0.1327750 4451 4460 27 H 47.0350540 37.6519320 57.3192580 N NB -0.6014820 -0.1515780 4452 4461 28 H 48.8799640 36.9156980 56.3517480 C CV 0.0437440 -0.6463920 4453 4462 29 H 49.9268180 36.1194140 56.8104100 H H4 0.1101570 0.2915440 4454 4463 30 H 50.7557400 35.8389180 56.1559880 Zn ZN 1.6200000 0.4299220 5010 5019 31 H 48.5408300 37.0692460 54.3778700 C CT -0.0984500 -0.0238720 5014 5023 32 H 45.5242600 38.6235310 52.8151280 H H1 0.0929000 0.2685930 5015 5024 33 H 45.9047440 38.2629460 51.7946650 H H1 0.0929000 0.0969020 5016 5025 34 H 44.4681350 38.3491220 52.9170250 S S -0.1962800 -0.2830480 5017 5026 35 H 46.5372560 38.4220840 54.3463710 C CT -0.0543300 0.0964590 5018 5027 36 H 45.9615260 39.9590760 53.2955450 H H1 0.1337300 0.1644310 5019 5028 37 H 45.2712320 40.5244060 53.9584730 C CT -0.0763000 -0.5226300 5020 5029 38 H 46.7837920 40.8072480 52.4116650 H H1 0.0819200 0.3256960 5021 5030 39 H 47.4572510 40.1421660 51.7397920 H H1 0.0819200 0.1908500 5022 5031 40 H 46.0670430 41.1478120 51.6241750 S S 0.9542200 1.3256170 5023 5032 41 H 47.5334200 42.2892510 53.1487100 O O -0.5751800 -0.6682030 5024 5033 42 H 47.8772050 42.0351770 54.5661070 O O -0.5751800 -0.6473990 5025 5034 43 H 46.6081870 43.4066740 52.8921450 O OW -0.8340000 -0.7243120 5054 5063 44 H 44.3895070 37.1126820 56.8657160 H HW 0.4170000 0.3142510 5055 5064 45 H 44.8948150 37.4342330 56.1147890 H HW 0.4170000 0.3668000 5056 5065 46 H 44.8906510 36.3358450 57.1679760