%chk=000231118.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231118

0 1
O -1.962891 -3.642023 0.267240
O -4.720890 -2.718818 0.197633
O 3.741915 0.584210 2.328832
O 3.248678 -0.836474 -2.383362
O 4.997312 -0.571906 -0.028990
O -2.657315 4.571175 -1.333913
O -2.798027 4.875124 0.884987
N -3.195497 1.798477 0.026931
C -0.474647 0.995143 0.010196
C -1.508543 0.002613 0.065827
C 0.955198 0.595097 -0.002850
C -2.865355 0.450707 0.074333
C -0.814132 2.331738 -0.031070
C -1.242807 -1.400096 0.100608
C 1.509014 0.051327 -1.161789
C 1.734129 0.796177 1.143800
C -3.938618 -0.495023 0.152145
C -2.282909 -2.296038 0.159999
C -2.198579 2.677709 -0.020587
C -3.652088 -1.836898 0.201051
C 3.083139 0.417862 1.127842
C 2.866047 -0.335190 -1.171470
C 3.660896 -0.182311 -0.014276
C -2.592990 4.128111 -0.036990
C -2.424573 -4.449802 -0.852871
C -4.791017 -3.577145 1.371853
C 5.039766 1.238488 2.264498
C 4.643246 -1.187337 -2.587805
C 5.235553 -1.778929 0.755325
H -0.055190 3.112647 -0.075351
H -0.210683 -1.759191 0.078772
H 0.917082 -0.082056 -2.066799
H 1.313665 1.236121 2.046817
H -4.970145 -0.132948 0.173724
H -2.173791 -5.463629 -0.522488
H -1.863277 -4.173086 -1.749644
H -3.503499 -4.327117 -1.002391
H -5.042415 -2.967111 2.244234
H -3.848661 -4.117182 1.518922
H -5.611277 -4.254597 1.110089
H 5.427661 1.074711 3.275901
H 4.879758 2.302207 2.065507
H 5.684109 0.785110 1.502617
H 4.874910 -2.097968 -2.029703
H 5.298519 -0.363887 -2.281838
H 4.672743 -1.352354 -3.671226
H 4.944975 -1.612404 1.798427
H 4.683852 -2.617925 0.324669
H 6.317065 -1.910915 0.654299
H -2.937617 5.526107 -1.397663


%chk=000231118-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231118

0 1
O -2.199026 -3.815934 0.035466
O -4.910742 -2.769253 -0.106498
O 4.067316 1.177101 2.068976
O 3.262920 -1.754432 -1.847077
O 5.103844 -0.696858 0.128167
O -1.374550 4.853474 0.328938
O -3.672646 4.537416 0.195893
N -3.198174 1.726235 0.055083
C -0.455710 0.816430 0.128200
C -1.538624 -0.142215 0.063688
C 0.983164 0.418989 0.121103
C -2.898039 0.378391 0.012297
C -0.792620 2.177659 0.191140
C -1.356705 -1.560144 0.066433
C 1.497517 -0.462462 -0.863146
C 1.875223 0.984866 1.068221
C -4.001813 -0.531601 -0.047138
C -2.446598 -2.429338 -0.002295
C -2.162272 2.587452 0.158558
C -3.795663 -1.907657 -0.040028
C 3.241646 0.643091 1.054399
C 2.866429 -0.811618 -0.883817
C 3.749165 -0.288332 0.103608
C -2.528277 4.042452 0.223319
C -2.634146 -4.568157 -1.168410
C -5.127310 -3.598603 1.105141
C 5.205821 1.997114 1.590693
C 4.441288 -1.418654 -2.678905
C 5.441497 -1.558787 1.290448
H -0.014921 2.942775 0.232389
H -0.356457 -1.996509 0.125612
H 0.855422 -0.876518 -1.645880
H 1.520523 1.676131 1.838575
H -5.015319 -0.123475 -0.069997
H -2.431110 -5.624706 -0.938517
H -2.035667 -4.250752 -2.042672
H -3.708812 -4.410386 -1.366587
H -5.358811 -2.947661 1.968832
H -4.239087 -4.217610 1.325311
H -5.994427 -4.234076 0.871142
H 5.748576 2.296899 2.499843
H 4.829799 2.894357 1.063749
H 5.860552 1.411809 0.921321
H 5.331778 -1.251298 -2.051652
H 4.228237 -0.520079 -3.289314
H 4.582513 -2.290812 -3.334944
H 5.232897 -1.027908 2.236337
H 4.861981 -2.498704 1.242251
H 6.517260 -1.771228 1.195875
H -1.666046 5.803625 0.369868


