%chk=000256601.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256601

0 1
O 2.937350 2.307314 -0.165901
O 2.893506 -2.304433 -0.189822
N 2.629183 0.005176 -0.352298
C -1.191455 0.018658 -0.768711
C 0.158355 -0.002922 -0.041191
C -2.359411 -0.007093 0.226669
C 1.317451 0.021676 -1.048593
C -3.712183 0.015017 -0.497707
C -4.880246 -0.010897 0.497057
C 4.584659 0.747655 0.782771
C 4.570289 -0.786338 0.774165
C 3.320044 1.187232 0.057522
C 3.297381 -1.194127 0.044697
C -6.234637 0.011123 -0.225552
C -7.401021 -0.014990 0.759797
H -1.263348 0.921139 -1.407014
H -1.265590 -0.847510 -1.455251
H 0.231784 -0.905630 0.597519
H 0.234527 0.863913 0.644824
H -2.287291 0.857370 0.914893
H -2.289946 -0.908552 0.865978
H 1.270143 0.938901 -1.680354
H 1.270068 -0.863950 -1.723714
H -3.785194 -0.849220 -1.185877
H -3.782613 0.916308 -1.136859
H -4.809339 0.852592 1.186048
H -4.811902 -0.911490 1.137082
H 5.478166 1.163864 0.278271
H 4.600636 1.163857 1.808586
H 4.578915 -1.214279 1.795208
H 5.455643 -1.213471 0.264446
H -6.305630 0.913075 -0.864499
H -6.307929 -0.853433 -0.914016
H -8.362872 0.001697 0.235293
H -7.382841 -0.916264 1.383029
H -7.379753 0.849133 1.433504


%chk=000256601-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256601

0 1
O 2.958146 2.346086 -0.140510
O 2.929347 -2.340012 -0.214178
N 2.677238 0.006780 -0.318443
C -1.174303 0.014916 -0.736945
C 0.186248 -0.000169 -0.006108
C -2.375637 -0.004270 0.234715
C 1.369829 0.024922 -0.999148
C -3.742235 0.007975 -0.486477
C -4.945005 -0.007096 0.483594
C 4.669288 0.751424 0.761085
C 4.660259 -0.795636 0.736046
C 3.368595 1.178729 0.069564
C 3.354115 -1.184934 0.032441
C -6.312573 0.004391 -0.237183
C -7.508746 -0.008766 0.739127
H -1.238809 0.917425 -1.380016
H -1.238937 -0.860935 -1.415819
H 0.260657 -0.908115 0.623309
H 0.257982 0.877353 0.665497
H -2.311671 0.871596 0.913544
H -2.310149 -0.904628 0.880553
H 1.333405 0.942902 -1.613122
H 1.331492 -0.859778 -1.660127
H -3.806916 -0.869257 -1.163979
H -3.806270 0.906848 -1.135100
H -4.882342 0.870483 1.160933
H -4.882588 -0.905360 1.133286
H 5.523035 1.191049 0.217674
H 4.685706 1.171390 1.781293
H 4.672589 -1.248729 1.742044
H 5.508382 -1.227250 0.177612
H -6.373592 0.901416 -0.886950
H -6.374913 -0.873158 -0.912875
H -8.473782 0.000360 0.199609
H -7.487558 -0.911115 1.379369
H -7.485388 0.874263 1.405686


