%chk=000257357.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257357

0 1
O 4.270168 -1.074661 0.553946
O 2.911260 2.834165 0.435603
O 1.512404 1.939332 -1.098990
O -5.000600 1.268033 -0.691057
O -5.455054 -0.349372 0.671479
N -4.683724 0.307208 -0.009632
C 1.208805 -2.618962 -0.572795
C 0.829189 -1.262312 -0.012706
C 2.738383 -2.697816 -0.423062
C 1.901537 -0.570403 0.425974
C 3.153164 -1.386511 0.235563
C -0.582281 -0.851029 -0.003292
C 1.971652 0.781200 1.028909
C -0.996540 0.247819 -0.772454
C -1.514171 -1.568512 0.768046
C 2.066558 1.855823 -0.027227
C -2.337407 0.630099 -0.779828
C -2.855400 -1.190293 0.770362
C -3.258486 -0.093274 -0.007322
C 3.132561 3.979616 -0.432359
H 0.894728 -2.706369 -1.631215
H 0.698520 -3.436872 -0.031660
H 3.250671 -2.817825 -1.395899
H 3.060996 -3.559479 0.188824
H 1.082714 0.988768 1.668866
H 2.856213 0.850758 1.715606
H -0.258434 0.812221 -1.363761
H -1.189220 -2.416658 1.371182
H -2.675259 1.484964 -1.377501
H -3.595116 -1.735686 1.367236
H 3.836375 4.584206 0.150283
H 2.185413 4.499995 -0.602573
H 3.568879 3.643228 -1.378346


%chk=000257357-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257357

0 1
O 4.276665 -0.855757 0.483542
O 3.129037 2.891114 0.337741
O 1.638702 2.061124 -1.241718
O -5.126418 1.396227 -0.330724
O -5.670797 -0.692745 0.408725
N -4.812796 0.198264 0.035522
C 1.208720 -2.695392 -0.354848
C 0.775995 -1.276916 0.032756
C 2.755814 -2.671664 -0.316334
C 1.859256 -0.496684 0.380408
C 3.118112 -1.278734 0.218914
C -0.649815 -0.889520 0.030213
C 1.924677 0.903657 0.938209
C -1.060140 0.410438 -0.391865
C -1.648666 -1.829306 0.422799
C 2.196206 1.974252 -0.120756
C -2.419942 0.769910 -0.392194
C -3.009890 -1.480172 0.434597
C -3.377302 -0.177887 0.029870
C 3.461569 4.001109 -0.592943
H 0.807908 -2.964563 -1.349202
H 0.799355 -3.437425 0.357658
H 3.201475 -2.801746 -1.319112
H 3.195425 -3.449228 0.332331
H 0.973891 1.170587 1.438093
H 2.738275 0.957481 1.681188
H -0.309113 1.109831 -0.775209
H -1.355618 -2.834640 0.741859
H -2.750555 1.758000 -0.722640
H -3.784815 -2.185135 0.746267
H 4.186583 4.616176 -0.043149
H 2.553706 4.575514 -0.841865
H 3.902992 3.595233 -1.517931


