%chk=000221815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221815

0 1
O -3.285208 0.117081 0.069388
O 0.622230 2.429010 0.303914
O 4.459942 -0.400731 0.169824
O -1.972024 -1.758977 -0.020864
N -1.074562 0.404545 0.212192
C -4.507033 -0.725279 0.011285
C 0.324039 0.104356 0.187796
C 1.243606 1.201439 0.244053
C -4.748485 -1.299700 1.395340
C -5.555481 0.275201 -0.443506
C 0.833625 -1.194492 0.122892
C 2.615902 0.995955 0.237109
C 3.085186 -0.334848 0.170399
C 2.215778 -1.425248 0.113097
C -2.075364 -0.550665 0.075308
C 1.461985 3.609140 0.364044
C 5.072174 -1.712179 0.102733
H -4.317758 -1.521737 -0.742883
H -5.708970 -1.822659 1.454414
H -3.960852 -2.021312 1.661765
H -4.744301 -0.518720 2.165825
H -6.540326 -0.195628 -0.535887
H -5.292139 0.711518 -1.416223
H -5.646268 1.111849 0.262431
H 0.144527 -2.049549 0.076696
H -1.337377 1.394314 0.274007
H 3.335760 1.806573 0.279627
H 2.579853 -2.445404 0.060995
H 2.075202 3.682204 -0.539238
H 2.071836 3.592376 1.272366
H 0.714231 4.411825 0.402418
H 6.140732 -1.461287 0.116575
H 4.797959 -2.211787 -0.830958
H 4.796282 -2.304983 0.979666


%chk=000221815-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221815

0 1
O -3.289045 0.150637 0.098506
O 0.570084 2.400116 0.333235
O 4.570299 -0.371456 0.166482
O -2.004101 -1.829919 -0.026551
N -1.038516 0.324041 0.163061
C -4.547927 -0.669415 0.063194
C 0.348750 0.034051 0.153737
C 1.229834 1.157725 0.246402
C -4.856233 -1.179973 1.478671
C -5.618626 0.264112 -0.507555
C 0.906852 -1.257449 0.063815
C 2.622447 0.989080 0.247786
C 3.163577 -0.318971 0.156164
C 2.310377 -1.440565 0.064560
C -2.080755 -0.575187 0.072117
C 1.395657 3.604539 0.427362
C 5.187473 -1.695214 0.074921
H -4.358497 -1.525058 -0.611665
H -5.799721 -1.756439 1.475314
H -4.049114 -1.840467 1.836724
H -4.968400 -0.332803 2.178677
H -6.579726 -0.274449 -0.593250
H -5.328907 0.626433 -1.508500
H -5.765871 1.137584 0.151942
H 0.233970 -2.114606 -0.007855
H -1.284886 1.315417 0.235586
H 3.313698 1.832330 0.317298
H 2.709408 -2.455742 -0.006521
H 2.036990 3.716512 -0.467651
H 2.025891 3.583489 1.336934
H 0.684183 4.441235 0.484655
H 6.271596 -1.510218 0.097966
H 4.914807 -2.202546 -0.871192
H 4.899132 -2.334624 0.932230


