%chk=000249485.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249485

0 1
O 2.622270 1.160092 0.094365
O 0.454776 -1.702322 0.315785
N -0.177351 0.441372 -0.170093
C -1.591395 0.158958 -0.054365
C 0.784584 -0.545374 0.095786
C 2.222900 -0.190799 0.094669
C 0.210291 1.828244 -0.523814
C -2.110137 -1.060086 -0.527088
C -2.443803 1.117811 0.524567
C -3.480797 -1.304362 -0.430362
C -3.813116 0.856439 0.605732
C 3.329246 -1.008422 0.133907
C -4.336364 -0.348673 0.127623
C 4.484179 -0.150562 0.156994
C 4.016461 1.138541 0.135706
H -0.639714 2.379466 -0.959062
H 1.016100 1.822924 -1.282396
H 0.575570 2.377665 0.362170
H -1.442566 -1.818920 -0.942296
H -2.047279 2.048285 0.923206
H -3.883696 -2.250064 -0.792751
H -4.475578 1.597200 1.052111
H 3.337451 -2.085789 0.149637
H -5.403798 -0.545599 0.195577
H 5.504504 -0.483948 0.187963
H 4.449561 2.114723 0.144130


%chk=000249485-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249485

0 1
O 2.625762 1.093794 0.545207
O 0.587912 -1.819578 -0.191834
N -0.177395 0.418757 -0.278002
C -1.580533 0.128646 -0.091388
C 0.821212 -0.566384 -0.175073
C 2.241066 -0.148470 -0.032340
C 0.176167 1.822373 -0.612844
C -2.137319 -1.167370 -0.288280
C -2.445892 1.192272 0.294474
C -3.520246 -1.375779 -0.098439
C -3.826098 0.968074 0.476115
C 3.382968 -0.909145 -0.261824
C -4.376740 -0.318043 0.280115
C 4.519421 -0.130486 0.163168
C 4.024317 1.070034 0.649124
H -0.602127 2.231833 -1.277708
H 1.135307 1.846369 -1.147273
H 0.267670 2.460864 0.283366
H -1.486070 -1.992344 -0.574392
H -2.047180 2.193698 0.479954
H -3.927721 -2.380706 -0.256815
H -4.468177 1.802718 0.779436
H 3.381226 -1.916470 -0.671126
H -5.449029 -0.491300 0.420465
H 5.566248 -0.423593 0.120029
H 4.477550 1.957038 1.083589


