%chk=000186891.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186891

0 1
O -2.465571 -2.556203 0.257283
O 2.475979 3.427720 -0.238823
C 0.375516 -0.177865 0.032223
C 1.819758 -0.223296 0.008642
C -0.301597 1.054536 -0.030007
C -0.357368 -1.417397 0.111290
C -1.746518 1.081741 0.004240
C 2.571758 0.973415 -0.082465
C 2.510917 -1.476474 0.075195
C -2.468619 -0.135585 0.085667
C -1.739092 -1.371321 0.119508
C 0.462362 2.266610 -0.123381
C 1.829327 2.217301 -0.147229
C 0.378458 -2.672165 0.191613
C 1.727620 -2.702546 0.174251
C 3.983778 0.919859 -0.107531
C 3.903820 -1.497823 0.048512
C -2.484641 2.305225 -0.036752
C -3.895003 -0.113487 0.149640
C 4.637279 -0.299440 -0.043067
C -3.858111 2.304410 0.012062
C -4.574756 1.079217 0.111582
C -2.843989 -3.151268 -1.012401
H -0.050605 3.227753 -0.173773
H -0.221721 -3.581154 0.283828
H 2.276396 -3.641512 0.239470
H 4.551259 1.848188 -0.177860
H 4.438238 -2.446019 0.099360
H -1.933955 3.245662 -0.104855
H -4.418455 -1.066586 0.246471
H 5.725938 -0.341319 -0.062169
H -4.416511 3.239026 -0.019444
H -5.661902 1.106341 0.161932
H 3.462752 3.321254 -0.245760
H -3.401935 -4.039006 -0.693303
H -1.950407 -3.424725 -1.580430
H -3.478701 -2.464468 -1.579318


%chk=000186891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186891

0 1
O -2.499668 -2.594428 0.240576
O 2.519959 3.486255 -0.274129
C 0.384484 -0.178404 0.045197
C 1.823542 -0.218970 0.015510
C -0.300535 1.080605 -0.029032
C -0.360193 -1.421499 0.141827
C -1.754790 1.105350 0.015699
C 2.594875 0.995371 -0.092570
C 2.516594 -1.484768 0.093100
C -2.487529 -0.141391 0.111949
C -1.768568 -1.382191 0.144919
C 0.479993 2.279042 -0.137596
C 1.866825 2.246374 -0.167608
C 0.361430 -2.674455 0.234082
C 1.739546 -2.703554 0.210293
C 4.018484 0.922966 -0.123862
C 3.933255 -1.513352 0.061751
C -2.511718 2.320709 -0.027710
C -3.920501 -0.122826 0.181806
C 4.677373 -0.317180 -0.046761
C -3.908783 2.315449 0.026047
C -4.621607 1.082050 0.137799
C -2.860385 -3.184206 -1.066563
H 0.005773 3.260779 -0.198506
H -0.222716 -3.592081 0.349714
H 2.278138 -3.655073 0.289491
H 4.633468 1.828905 -0.209454
H 4.450708 -2.477573 0.123292
H -1.992731 3.280645 -0.099738
H -4.444051 -1.076140 0.299446
H 5.771481 -0.354768 -0.071086
H -4.460491 3.261283 -0.008372
H -5.715354 1.087955 0.198484
H 3.502363 3.381050 -0.277486
H -3.422986 -4.101621 -0.834513
H -1.951708 -3.432562 -1.648909
H -3.492280 -2.489144 -1.652884


