%chk=000257851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257851

0 1
O 3.510055 0.113832 -0.144765
O 6.577660 1.792528 0.404006
N -4.000355 -1.212529 -0.272194
N -2.690788 -1.026934 -0.527656
N -2.063423 -0.146929 0.146221
N 6.042815 -0.282291 -0.371779
N 7.378552 -0.685184 -0.619626
C -5.139919 1.049239 -0.145497
C -4.822927 -0.278963 0.556835
C -6.027667 1.937486 0.735878
C -6.354710 3.260904 0.048494
C -4.712480 -1.849272 -1.416210
C -0.632494 -0.122673 0.021595
C 2.127858 0.133073 -0.043385
C -0.022554 1.049265 0.508070
C 0.158211 -1.172266 -0.496450
C 1.367277 1.185518 0.475761
C 1.541600 -1.050924 -0.531476
C 4.236239 1.269833 0.340320
C 5.716839 0.969049 0.131510
H -5.634384 0.866613 -1.117697
H -4.193959 1.579673 -0.381853
H -4.267722 -0.085721 1.505934
H -5.755525 -0.814277 0.835769
H -6.966131 1.406160 0.988482
H -5.520040 2.135180 1.701376
H -6.982026 3.893779 0.686672
H -5.446725 3.829993 -0.184038
H -6.894257 3.107398 -0.892848
H -5.544993 -2.451794 -1.015812
H -4.037693 -2.530833 -1.965859
H -5.112878 -1.113902 -2.132656
H -0.641826 1.852834 0.912103
H -0.320314 -2.080637 -0.867895
H 1.824961 2.095018 0.851180
H 2.172266 -1.845186 -0.924398
H 3.941725 2.165132 -0.241028
H 4.024083 1.421598 1.416458
H 5.347120 -0.992244 -0.625665
H 7.921797 -0.636991 0.255642
H 7.830832 -0.015854 -1.260718


%chk=000257851-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257851

0 1
O 3.519017 0.063914 -0.172278
O 6.587228 1.764772 0.794137
N -4.080746 -1.168991 -0.343366
N -2.725105 -1.134748 -0.491705
N -2.138770 -0.166063 0.185379
N 6.105019 -0.099319 -0.530404
N 7.452597 -0.394826 -0.871892
C -5.147222 1.124903 -0.270140
C -4.831626 -0.194554 0.477157
C -5.950066 2.105385 0.614438
C -6.276949 3.427127 -0.113559
C -4.784369 -2.165553 -1.152462
C -0.714940 -0.164803 0.057454
C 2.111654 0.048864 -0.052301
C -0.037046 0.867026 0.753971
C 0.053310 -1.098957 -0.701218
C 1.368405 0.983308 0.706427
C 1.450845 -0.990102 -0.754603
C 4.252717 1.116181 0.537856
C 5.754267 0.959061 0.279889
H -5.720133 0.905528 -1.194099
H -4.193089 1.592086 -0.577359
H -4.217560 0.029059 1.368606
H -5.768236 -0.687866 0.800424
H -6.892193 1.621067 0.944840
H -5.370198 2.323013 1.534132
H -6.842445 4.117928 0.538282
H -5.351150 3.942250 -0.430890
H -6.885156 3.242546 -1.019127
H -5.390828 -2.835421 -0.513631
H -4.031558 -2.761766 -1.689971
H -5.456485 -1.684954 -1.890244
H -0.634015 1.577982 1.334498
H -0.462630 -1.899365 -1.239404
H 1.857997 1.792192 1.256549
H 2.052053 -1.699667 -1.332393
H 3.942547 2.120827 0.188544
H 4.078452 1.052382 1.630237
H 5.379163 -0.710436 -0.910420
H 7.999878 -0.594798 -0.022126
H 7.871466 0.393488 -1.386425


