%chk=000259060.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259060

0 1
O 1.381718 -0.671657 -0.811952
O 1.072276 -1.792342 1.154210
N -0.487178 -0.200904 0.437538
C -0.990784 0.541327 -0.764851
C -2.042330 -0.306429 -1.516825
C -3.155143 -0.818801 -0.594072
C -2.577737 -1.576190 0.608456
C -1.543999 -0.720440 1.356115
C -1.558571 1.908928 -0.334146
C -0.466947 2.837824 0.213303
C 0.665918 -0.991332 0.333988
C -1.025830 4.210459 0.579334
C 2.730193 -1.228117 -0.911680
C 3.684762 -0.385902 -0.069324
C 5.135046 -0.769073 -0.337230
H -0.114615 0.718206 -1.450251
H -1.532803 -1.165948 -1.996640
H -2.476556 0.284452 -2.343981
H -3.836724 -1.480047 -1.162358
H -3.775120 0.028948 -0.243666
H -3.387243 -1.872723 1.300970
H -2.107576 -2.521074 0.270447
H -2.028172 0.163199 1.828521
H -1.062567 -1.307510 2.172847
H -2.354899 1.778630 0.423375
H -2.051469 2.381321 -1.205893
H 0.345351 2.948509 -0.531420
H 0.005058 2.372252 1.102858
H -1.464426 4.715124 -0.288598
H -1.805014 4.138432 1.346440
H -0.238836 4.863140 0.974430
H 2.910298 -1.141518 -1.997539
H 2.707252 -2.286761 -0.598607
H 3.519820 0.689509 -0.280152
H 3.441990 -0.520762 1.006719
H 5.415269 -0.606117 -1.384143
H 5.817864 -0.171934 0.279702
H 5.325724 -1.823180 -0.100923


%chk=000259060-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259060

0 1
O 1.402826 -0.531472 -0.880812
O 1.112724 -1.736012 1.119566
N -0.657965 -0.517575 0.166373
C -1.195455 0.347487 -0.923731
C -2.455583 -0.331758 -1.528981
C -3.496628 -0.734279 -0.455679
C -2.840774 -1.620582 0.629418
C -1.601918 -0.922779 1.232770
C -1.470728 1.795362 -0.429270
C -0.224275 2.505300 0.144325
C 0.638696 -0.984598 0.219739
C -0.516713 3.959144 0.572546
C 2.825275 -0.964830 -0.879775
C 3.698621 -0.026198 -0.034990
C 5.189674 -0.421799 -0.120779
H -0.411885 0.398357 -1.697016
H -2.134067 -1.241239 -2.074397
H -2.910760 0.351829 -2.271628
H -4.338516 -1.270746 -0.932837
H -3.926395 0.171748 0.016904
H -3.561673 -1.846061 1.438556
H -2.528532 -2.585797 0.184802
H -1.918727 -0.025278 1.803113
H -1.056983 -1.588030 1.921167
H -2.278156 1.803181 0.330347
H -1.855801 2.372848 -1.294787
H 0.584834 2.489666 -0.612733
H 0.155403 1.930599 1.011805
H -0.866858 4.565480 -0.284515
H -1.303487 3.994393 1.350214
H 0.385531 4.447186 0.984722
H 3.109982 -0.934160 -1.945704
H 2.884538 -2.000771 -0.499448
H 3.558570 1.013797 -0.387383
H 3.355075 -0.072074 1.014507
H 5.561392 -0.374123 -1.161964
H 5.811781 0.256390 0.490008
H 5.350956 -1.451104 0.250552


