%chk=000191788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191788

0 1
O -4.648393 0.457445 -2.379444
O -5.268273 -0.145281 1.135791
O 6.458383 -0.192178 -0.975571
C -1.921962 -0.303087 0.233184
C -1.102577 0.965619 -0.163988
C 0.315628 0.917077 0.423744
C 1.040161 -0.332273 -0.151746
C -3.353775 0.068092 -0.306347
C -1.230518 -1.519427 -0.409218
C -2.025086 2.131118 0.226437
C 2.495463 -0.461677 0.407474
C 0.223576 -1.622953 0.083120
C -3.452176 1.599738 -0.028503
C 1.104515 2.184991 0.062250
C -2.007585 -0.497352 1.757529
C 3.247542 0.858098 0.222076
C 2.529429 2.119208 0.616370
C -3.499374 -0.190911 -1.820995
C 3.208658 -1.593518 -0.383900
C -4.451762 -0.705394 0.438794
C 2.509189 -0.780485 1.913013
C 4.720362 -1.615565 -0.176034
C 4.522107 0.914489 -0.198172
C -4.497558 -2.196565 0.246102
C 5.340915 -0.272618 -0.509631
H -1.001978 0.982194 -1.280414
H 0.257293 0.829639 1.535691
H 1.128531 -0.183694 -1.258268
H -1.237034 -1.443889 -1.512099
H -1.781285 -2.450304 -0.165245
H -1.819509 3.033832 -0.370246
H -1.891471 2.418551 1.282732
H 0.229197 -1.880644 1.160458
H 0.714490 -2.471635 -0.431149
H -4.110577 1.795295 0.839293
H -3.923933 2.115177 -0.886044
H 0.590135 3.080221 0.461402
H 1.134377 2.321715 -1.036601
H -2.613571 0.282766 2.236284
H -2.443557 -1.463727 2.027412
H -1.014707 -0.450448 2.222784
H 2.511117 2.178570 1.727017
H 3.093600 3.017753 0.288999
H -3.554846 -1.266094 -2.064974
H -2.669251 0.274840 -2.390797
H 2.996542 -1.474861 -1.466297
H 2.783782 -2.574699 -0.097572
H 1.911695 -0.060063 2.483284
H 2.103582 -1.777333 2.117191
H 3.528524 -0.756832 2.316427
H 5.189018 -2.409034 -0.793078
H 4.977070 -1.873291 0.871787
H 5.048425 1.861316 -0.333572
H -5.116801 -2.463150 -0.621497
H -3.504074 -2.645375 0.098548
H -4.962778 -2.686398 1.115425
H -5.453492 0.269210 -1.856317


%chk=000191788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191788

0 1
O -4.615057 0.361639 -2.505104
O -5.291713 -0.111948 1.217846
O 6.500926 -0.122838 -1.271916
C -1.951616 -0.326835 0.308924
C -1.109780 0.944670 -0.045327
C 0.330099 0.917481 0.517887
C 1.064559 -0.349173 -0.024522
C -3.377905 0.078986 -0.320974
C -1.216455 -1.554529 -0.290524
C -2.033445 2.123368 0.327598
C 2.572083 -0.466867 0.450209
C 0.244050 -1.644072 0.232954
C -3.459381 1.629228 -0.070644
C 1.105474 2.192558 0.119033
C -2.124105 -0.502074 1.844570
C 3.285710 0.869756 0.172475
C 2.572825 2.136952 0.606960
C -3.438259 -0.227589 -1.847582
C 3.259519 -1.611937 -0.358883
C -4.537911 -0.677869 0.379228
C 2.676522 -0.763051 1.981098
C 4.800206 -1.590915 -0.291560
C 4.531120 0.939526 -0.400550
C -4.770977 -2.152085 0.040841
C 5.362944 -0.237306 -0.720589
H -0.997278 0.953668 -1.153590
H 0.285814 0.877715 1.626878
H 1.111321 -0.213873 -1.131213
H -1.185888 -1.478674 -1.395603
H -1.735749 -2.502202 -0.044157
H -1.762521 3.054622 -0.200165
H -1.971267 2.335055 1.412700
H 0.230135 -1.876916 1.313915
H 0.734647 -2.501001 -0.264686
H -4.202848 1.842033 0.715318
H -3.813077 2.120501 -0.993746
H 0.612344 3.087952 0.541309
H 1.086470 2.301391 -0.985159
H -2.727416 0.309595 2.284762
H -2.638991 -1.453908 2.074319
H -1.154938 -0.523945 2.369316
H 2.569259 2.179707 1.717570
H 3.134580 3.023233 0.260036
H -3.398100 -1.317888 -2.041039
H -2.590334 0.246480 -2.367768
H 2.952989 -1.522558 -1.421172
H 2.894162 -2.591572 0.000943
H 2.146552 -0.007371 2.586970
H 2.248177 -1.752446 2.221049
H 3.731730 -0.766407 2.307460
H 5.244737 -2.377441 -0.926588
H 5.147617 -1.786469 0.743600
H 4.992235 1.914473 -0.607163
H -5.263990 -2.254852 -0.946324
H -3.826844 -2.720277 -0.014358
H -5.435113 -2.593905 0.800125
H -5.442444 0.056402 -2.052087


