%chk=000242959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242959

0 1
O 2.671306 -1.099457 -0.967566
O -2.782223 -1.501814 -0.781070
O 2.194852 0.115098 1.993728
O -0.747563 0.585603 2.328255
O -2.425917 -0.734244 2.036667
O -1.232888 1.948541 -0.748706
N 1.052547 2.076413 -0.717191
N -1.360046 -0.256181 1.684398
C 0.664474 -0.596337 0.297938
C -0.742972 -0.764485 0.456218
C 1.325500 -1.305678 -0.689540
C 1.416383 0.421255 1.125551
C -1.450652 -1.453667 -0.546450
C 1.160447 1.880123 0.734423
C 0.628356 -2.177662 -1.576264
C -0.739627 -2.230629 -1.521389
C -0.187054 2.069289 -1.368016
C 3.582938 -1.777733 -0.056666
C -3.637775 -0.412597 -0.322654
C -0.112992 2.246943 -2.857592
H 1.971307 2.523412 1.148205
H 0.208906 2.209991 1.243998
H 1.204507 -2.753435 -2.303730
H -1.327998 -2.838606 -2.212349
H 1.925473 2.055443 -1.235937
H 3.420481 -1.435250 0.974060
H 4.560255 -1.455321 -0.433194
H 3.456432 -2.858994 -0.145058
H -4.458175 -0.463852 -1.049074
H -3.115074 0.552389 -0.375184
H -3.988549 -0.642986 0.693380
H -1.129789 2.276836 -3.283673
H 0.378282 3.187000 -3.144296
H 0.419547 1.424192 -3.353124


%chk=000242959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242959

0 1
O 2.669018 -0.888285 -0.894989
O -2.867382 -1.697558 -0.617965
O 2.235210 0.156791 2.035565
O -0.781261 0.554196 2.445161
O -2.544654 -0.843780 2.111295
O -1.240600 2.030797 -0.791395
N 1.083589 2.094969 -0.711005
N -1.426813 -0.319457 1.731847
C 0.604953 -0.556256 0.362404
C -0.789705 -0.804009 0.504826
C 1.315414 -1.225060 -0.652226
C 1.366907 0.478517 1.187509
C -1.499141 -1.583667 -0.464591
C 1.155026 1.945285 0.746687
C 0.653037 -2.138456 -1.514118
C -0.736006 -2.298693 -1.428351
C -0.123084 2.123458 -1.393383
C 3.659973 -1.724121 -0.169495
C -3.746452 -0.525433 -0.362838
C -0.025298 2.279973 -2.905937
H 1.981851 2.547401 1.160163
H 0.199041 2.298932 1.169616
H 1.230513 -2.650424 -2.290473
H -1.285175 -2.926430 -2.135917
H 1.954598 2.049054 -1.242630
H 3.551992 -1.574589 0.919827
H 4.644926 -1.372815 -0.511604
H 3.527765 -2.792281 -0.427846
H -4.546165 -0.618378 -1.113505
H -3.184282 0.416405 -0.501008
H -4.153534 -0.585056 0.657895
H -0.560524 3.197215 -3.206696
H 1.012471 2.335637 -3.276167
H -0.533509 1.429718 -3.392560


