%chk=000244832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244832

0 1
O 1.666694 1.598209 -1.177223
O 3.289389 -0.784914 1.036993
O 1.210235 2.426287 1.747528
O 1.923317 -2.243142 -0.452558
N -1.099623 0.998525 1.711990
N -0.347190 -0.408088 0.068017
C 2.329740 1.153209 -0.001519
C 3.115446 -0.168898 -0.237032
C 1.377794 1.105008 1.218716
C 2.447717 -1.154882 -1.239334
C 0.004983 0.543657 0.959521
C 3.457475 -1.787370 -2.182169
C -2.222664 0.283132 1.257610
C -1.735365 -0.598041 0.229248
C -3.579712 0.308222 1.627499
C -2.625134 -1.466319 -0.434557
C -4.427111 -0.556037 0.956435
C -3.956296 -1.431081 -0.060390
H 3.063901 1.984182 0.177674
H 4.148286 0.093941 -0.569062
H 1.874951 0.547711 2.065615
H 1.613166 -0.665811 -1.794020
H -1.075373 1.713711 2.420946
H 4.251337 -2.307034 -1.626582
H 3.925098 -1.048161 -2.840820
H 2.974886 -2.548590 -2.810849
H 0.985104 0.939550 -1.477259
H 2.856889 -1.700184 1.034876
H 1.016358 3.065032 1.017627
H 0.970407 -2.061859 -0.224910
H -3.936888 0.976683 2.404903
H -2.257678 -2.133480 -1.211786
H -5.488349 -0.575922 1.206088
H -4.674990 -2.087846 -0.550715


%chk=000244832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244832

0 1
O 1.852541 1.985334 -0.857906
O 3.580258 -0.936025 0.829815
O 1.141867 2.373832 1.883216
O 1.699520 -2.124398 -0.508163
N -1.126470 1.066771 1.499007
N -0.295990 -0.709042 0.376099
C 2.417367 1.132347 0.209655
C 3.145368 -0.142845 -0.318691
C 1.378029 1.006334 1.360801
C 2.363625 -1.087704 -1.302584
C 0.013486 0.428083 1.032362
C 3.319424 -1.777817 -2.283220
C -2.244470 0.307531 1.125796
C -1.705296 -0.815742 0.412198
C -3.629911 0.474836 1.326890
C -2.561178 -1.805270 -0.119370
C -4.472065 -0.522373 0.790932
C -3.947304 -1.642342 0.080235
H 3.206381 1.768238 0.651029
H 4.050548 0.225674 -0.837345
H 1.847413 0.437027 2.181647
H 1.604761 -0.510290 -1.880421
H -1.069423 1.934775 2.034548
H 4.118047 -2.301163 -1.727885
H 3.787744 -1.045089 -2.965981
H 2.769176 -2.522889 -2.882084
H 1.235395 1.441621 -1.413667
H 2.984443 -1.753082 0.780965
H 1.183559 2.977531 1.089906
H 0.822106 -1.692931 -0.135360
H -4.040532 1.330421 1.872153
H -2.156002 -2.664575 -0.661772
H -5.555643 -0.435494 0.924485
H -4.639970 -2.391886 -0.316787


