%chk=000253958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253958

0 1
O -6.671725 -1.216971 -0.481665
O -6.920111 0.621820 0.628532
O 3.144998 3.824352 0.140757
N 2.220326 1.240395 -0.086058
N -6.235776 -0.207566 0.050189
N 3.553801 1.521517 -0.170561
N 5.313439 3.116768 -0.145291
C -2.025729 0.458619 -0.118274
C 2.661291 -1.208430 0.100139
C 1.800502 0.004515 0.010484
C -0.578514 0.712156 -0.167333
C 0.345817 -0.237837 0.041994
C -2.584316 -0.685814 -0.717435
C -2.863143 1.388114 0.529281
C -4.779416 0.024408 -0.009808
C 3.111207 -1.832977 -1.071172
C 3.016374 -1.719612 1.356009
C -3.958879 -0.906206 -0.666763
C -4.237143 1.173765 0.589530
C 3.918476 -2.970491 -0.982592
C 3.824637 -2.856930 1.436753
C 4.275962 -3.482021 0.269401
C 3.914154 2.911396 -0.051612
H -0.290715 1.753569 -0.372769
H 0.070302 -1.274045 0.263465
H -1.940239 -1.398958 -1.232623
H -2.431227 2.278214 0.990792
H 2.826001 -1.435580 -2.045023
H 2.658583 -1.234020 2.263952
H -4.405886 -1.792311 -1.130879
H -4.898574 1.886632 1.094652
H 4.266558 -3.461092 -1.890956
H 4.100640 -3.258394 2.411424
H 4.903692 -4.369961 0.335557
H 4.263666 0.789320 -0.031939
H 5.605985 4.086076 -0.223285
H 5.905283 2.474979 -0.648071


%chk=000253958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253958

0 1
O -6.842866 -1.248208 0.141600
O -7.085064 1.021391 0.230891
O 3.070841 3.852454 -0.447936
N 2.153611 1.213533 -0.196547
N -6.357603 -0.047603 0.167205
N 3.483615 1.534414 -0.167673
N 5.246568 3.070469 -0.116896
C -2.077921 0.404655 0.037246
C 2.736415 -1.226421 -0.034239
C 1.784121 -0.066276 -0.104307
C -0.632641 0.625588 0.001634
C 0.343384 -0.342047 -0.050995
C -2.682991 -0.891792 0.007105
C -2.938503 1.544046 0.107435
C -4.892336 0.110267 0.121812
C 3.743118 -1.412861 -1.023740
C 2.633683 -2.172984 1.020680
C -4.075443 -1.044753 0.049892
C -4.335075 1.409208 0.149735
C 4.625852 -2.513742 -0.952723
C 3.520343 -3.269705 1.093293
C 4.520814 -3.442711 0.108501
C 3.868744 2.903916 -0.255477
H -0.292390 1.669438 0.015570
H 0.075593 -1.406020 -0.065245
H -2.055959 -1.786928 -0.053496
H -2.491496 2.544295 0.128511
H 3.801839 -0.724348 -1.875554
H 1.864745 -2.039786 1.790359
H -4.548994 -2.029745 0.027396
H -4.998543 2.276128 0.203421
H 5.383588 -2.653148 -1.731621
H 3.430196 -3.988222 1.915258
H 5.204780 -4.296533 0.162797
H 4.199158 0.801076 -0.047784
H 5.598975 4.021899 -0.186411
H 5.898142 2.318453 0.099109


