%chk=000248202.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248202

0 1
O -3.116021 0.687218 -2.083256
O 3.778361 0.815959 1.038169
O 3.935118 -1.463760 1.100174
N -0.477573 -0.356805 0.224482
N 1.973327 -0.384666 1.791775
N -4.742330 0.754350 0.343233
C 0.401386 0.858919 0.280299
C 0.353099 -1.604389 0.302961
C -1.314822 -0.352805 -1.015842
C 1.180102 0.863349 1.610796
C 1.140669 -1.612362 1.628862
C -2.566077 0.514951 -0.761229
C -3.588662 -0.182453 0.160078
C 3.275117 -0.455556 1.254448
C -4.542339 1.628144 1.547835
C -6.051984 0.024776 0.397094
C -5.407188 2.883710 1.428525
C -6.458265 -0.414020 -1.010710
C 5.197505 0.908170 0.693005
C 5.380641 0.577440 -0.784189
C 6.803053 0.907125 -1.251804
C 6.998267 0.569692 -2.727768
H -0.249022 1.759552 0.230139
H 1.108368 0.926791 -0.575047
H 1.050702 -1.720001 -0.554714
H -0.332989 -2.479141 0.282925
H -0.791586 0.033146 -1.919331
H -1.628861 -1.385809 -1.276617
H 1.853275 1.748637 1.664936
H 0.474123 0.926886 2.471107
H 0.441039 -1.645650 2.495502
H 1.791635 -2.515020 1.687917
H -2.300132 1.525912 -0.380512
H -3.091156 -0.479642 1.108323
H -3.927112 -1.125538 -0.320605
H -3.470792 1.927043 1.591205
H -4.760349 1.100734 2.501532
H -6.824486 0.718972 0.799040
H -6.028313 -0.850772 1.080944
H -4.041044 1.023341 -2.007986
H -5.171668 3.600273 2.221802
H -6.477005 2.653387 1.489487
H -5.244077 3.381996 0.463200
H -7.428957 -0.920191 -0.999705
H -5.727262 -1.100144 -1.455824
H -6.537283 0.448337 -1.685131
H 5.397758 1.967243 0.935539
H 5.771961 0.237171 1.355160
H 5.160776 -0.499135 -0.950435
H 4.635770 1.130318 -1.388929
H 7.019508 1.980469 -1.082925
H 7.539182 0.345840 -0.641763
H 8.017606 0.803053 -3.055874
H 6.309976 1.133973 -3.367361
H 6.827431 -0.495717 -2.923838


%chk=000248202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248202

0 1
O -3.974849 0.805693 -1.836568
O 3.954840 0.612211 0.878933
O 3.963630 -1.733710 0.653974
N -0.716771 -0.318774 -0.330122
N 1.955901 -0.518131 0.697608
N -4.984843 0.826181 0.637848
C 0.180490 0.865764 -0.324069
C 0.079476 -1.557653 -0.531793
C -1.835239 -0.191825 -1.300166
C 1.219351 0.755742 0.809444
C 1.109334 -1.723167 0.600729
C -2.960441 0.721655 -0.785329
C -3.645161 0.177014 0.499644
C 3.328124 -0.644804 0.733153
C -4.905936 2.135424 1.352810
C -6.032326 -0.083560 1.188604
C -6.064076 3.088266 1.003557
C -6.519959 -1.124024 0.163351
C 5.442880 0.580362 0.866638
C 5.993026 0.654290 -0.563927
C 7.539226 0.705859 -0.579498
C 8.109862 0.800571 -2.011128
H -0.420125 1.779425 -0.168975
H 0.715092 0.971762 -1.302735
H 0.616720 -1.549238 -1.514158
H -0.605708 -2.425001 -0.525763
H -1.496251 0.191161 -2.292943
H -2.269286 -1.194438 -1.473692
H 1.935378 1.588656 0.765703
H 0.691213 0.787587 1.784641
H 0.572363 -1.870805 1.559773
H 1.764518 -2.590348 0.420201
H -2.556658 1.740049 -0.580418
H -2.997278 0.329137 1.388100
H -3.796045 -0.910341 0.377310
H -3.953629 2.613962 1.058158
H -4.856540 1.979776 2.457918
H -6.890874 0.541212 1.493949
H -5.667200 -0.596757 2.110764
H -4.819319 0.966342 -1.299830
H -5.940062 4.050829 1.533319
H -7.046318 2.673828 1.293675
H -6.083694 3.286008 -0.082556
H -7.303148 -1.763008 0.611510
H -5.702835 -1.783795 -0.178343
H -6.941153 -0.622259 -0.725377
H 5.729044 1.466265 1.459157
H 5.782307 -0.342074 1.371512
H 5.644642 -0.231252 -1.128517
H 5.584664 1.552279 -1.067864
H 7.887646 1.575234 0.015274
H 7.941672 -0.198541 -0.080277
H 9.214672 0.835220 -2.003206
H 7.745766 1.710876 -2.523606
H 7.802285 -0.071833 -2.617298


