%chk=000291647.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291647

0 1
O -2.099231 2.334832 0.018977
O -3.464740 -1.830946 0.001247
O 3.726701 0.113759 -0.794818
O 3.190224 -0.861848 1.058661
N -2.062870 -0.031466 0.011916
N 2.946371 -0.145654 0.103415
C -0.751788 0.457696 0.018364
C 0.412470 -0.303426 0.015351
C -0.790148 1.894886 0.019664
C -2.989745 1.137591 0.018991
C 0.193410 -1.753630 -0.035077
C 1.603804 0.488791 0.038563
C -2.316711 -1.446327 -0.004557
C -1.082919 -2.234956 -0.036509
C 0.371112 2.625103 0.012514
C 1.581146 1.878674 0.018013
C 1.343511 -2.690234 -0.102504
H -3.593007 1.211895 -0.905591
H -3.585121 1.205313 0.949313
H -1.274046 -3.313725 -0.069131
H 0.384154 3.713039 0.002880
H 2.523375 2.439316 0.007073
H 1.037771 -3.743028 -0.201264
H 1.965619 -2.637210 0.813672
H 2.006658 -2.480946 -0.955964


%chk=000291647-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291647

0 1
O -2.120942 2.330105 -0.037366
O -3.527611 -1.808820 0.113547
O 3.961135 0.433772 -0.445075
O 3.128685 -0.988326 1.135526
N -2.028127 -0.012311 0.064645
N 2.982957 -0.068455 0.236857
C -0.733915 0.479709 0.049581
C 0.436477 -0.306067 0.059571
C -0.785251 1.890593 -0.022686
C -2.994470 1.111921 0.043123
C 0.203250 -1.759634 -0.016806
C 1.635688 0.497372 0.035768
C -2.328565 -1.394903 0.078866
C -1.112040 -2.218802 0.010802
C 0.386178 2.642113 -0.103951
C 1.603128 1.906324 -0.071584
C 1.321021 -2.762506 -0.193953
H -3.647153 1.079879 -0.845205
H -3.590656 1.160989 0.970011
H -1.306937 -3.293689 -0.051276
H 0.379642 3.731438 -0.174335
H 2.558081 2.437470 -0.103755
H 0.910791 -3.758151 -0.427288
H 1.943822 -2.833318 0.713517
H 2.000811 -2.469204 -1.015335


