%chk=000281319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281319

0 1
O 1.016449 3.292784 -0.813069
O 2.757768 -1.047017 -0.046157
O -2.908453 -0.323189 0.146064
O 1.107012 -2.549090 0.437160
O -1.679499 -1.764576 -1.131318
N 0.614765 -0.298985 -0.213323
N -0.661843 -0.304699 0.465162
C 1.187839 1.087461 0.053747
C -0.849814 1.111198 1.013588
C 0.606350 1.422528 1.455046
C 0.350517 2.029321 -0.882583
C -1.036642 2.088099 -0.180629
C 1.436721 -1.432157 0.140452
C -1.720546 -0.887483 -0.309893
C 3.728922 -2.129617 -0.023592
C -4.119915 -1.013082 -0.266921
H 2.280610 1.139753 -0.085207
H -1.646614 1.110584 1.773548
H 0.765917 2.472187 1.746327
H 0.983992 0.791137 2.270464
H 0.306372 1.679258 -1.929731
H -1.867222 1.792406 -0.839417
H -1.260603 3.108316 0.172770
H 0.703547 3.887231 -1.522507
H 3.606758 -2.735867 -0.926865
H 3.595335 -2.738695 0.877047
H 4.681169 -1.588596 -0.018217
H -4.099971 -1.205584 -1.345384
H -4.903468 -0.300520 0.010645
H -4.200852 -1.949505 0.294490


%chk=000281319-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281319

0 1
O 1.129640 3.424670 -0.806527
O 2.753552 -1.113923 -0.197233
O -2.932387 -0.458011 0.260277
O 0.971547 -2.445662 0.576794
O -1.514873 -1.705726 -1.153171
N 0.664175 -0.194696 -0.099375
N -0.684084 -0.155909 0.436291
C 1.196621 1.191347 0.105823
C -0.870320 1.232628 1.002957
C 0.567697 1.542279 1.486448
C 0.423403 2.136367 -0.855861
C -1.014934 2.199136 -0.214854
C 1.412493 -1.354675 0.159059
C -1.676903 -0.849245 -0.257260
C 3.625189 -2.304365 -0.096777
C -4.070685 -1.236769 -0.272229
H 2.284080 1.215372 -0.012706
H -1.685673 1.241194 1.734673
H 0.703451 2.602710 1.747738
H 0.914028 0.889194 2.302565
H 0.413080 1.725612 -1.883232
H -1.819570 1.877039 -0.896134
H -1.229583 3.225338 0.134503
H 0.736343 4.037313 -1.476883
H 3.284745 -3.085832 -0.796748
H 3.613694 -2.708287 0.929648
H 4.626124 -1.939573 -0.368102
H -4.097421 -1.184327 -1.373774
H -4.961401 -0.767015 0.169328
H -3.987431 -2.292580 0.036461


