%chk=000273312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273312

0 1
O 3.499624 -1.422172 -0.720643
O -1.208837 0.625603 -1.255884
O -3.571268 -1.123442 -0.363026
O -0.321404 -2.505632 -0.096467
O 2.943763 -0.852272 1.437127
O -5.066104 -2.254989 0.904051
N 1.499785 -0.439548 -0.357809
N -1.617511 -1.447872 1.458599
C 0.317599 -0.225549 0.497040
C -0.496851 0.964155 -0.071035
C -0.544818 -1.505483 0.553549
C -2.676520 -2.463314 1.388326
C 2.667014 -0.920135 0.255383
C 4.864299 -1.760610 -0.304882
C 5.724657 -0.530504 -0.329345
C -4.647575 -0.451230 -1.100544
C -3.920300 -1.968171 0.664173
C -4.885645 0.879969 -0.450526
C 6.526677 -0.250550 -1.444435
C 5.727184 0.340659 0.770620
C -5.922516 1.024880 0.483096
C -4.066818 1.974397 -0.764176
C 7.336726 0.888999 -1.452198
C 6.536715 1.478620 0.757228
C -6.148478 2.264759 1.086282
C -4.297822 3.212227 -0.158036
C 7.344087 1.752468 -0.352272
C -5.339163 3.359467 0.764177
H 0.673697 0.028631 1.540717
H 0.183176 1.775428 -0.412511
H -1.196428 1.360392 0.686685
H 1.300432 -0.721907 -1.325444
H -1.854811 -0.596161 1.957656
H -2.292508 -3.382873 0.861552
H -2.965668 -2.787300 2.418938
H 4.828266 -2.238814 0.693117
H 5.129828 -2.507096 -1.077988
H -4.214819 -0.382895 -2.116820
H -5.543057 -1.101871 -1.114850
H -1.918676 -0.043057 -1.065601
H 6.517237 -0.914573 -2.307304
H 5.083396 0.129241 1.630080
H -6.547627 0.167920 0.741317
H -3.243814 1.862156 -1.475732
H 7.960299 1.104698 -2.317974
H 6.537642 2.153370 1.611663
H -6.956915 2.378001 1.807397
H -3.666913 4.064103 -0.408286
H 7.975942 2.638819 -0.360113
H -5.520379 4.326458 1.231326


%chk=000273312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273312

0 1
O 3.842538 -1.879258 0.050023
O -0.655923 0.333575 -0.330473
O -3.289998 -0.778524 -0.567638
O -0.564249 -3.194142 -0.180247
O 3.060684 -0.642905 1.910992
O -5.248874 -2.004617 -0.225562
N 1.608797 -1.759996 0.457178
N -1.942116 -2.132554 1.362340
C 0.406641 -1.388914 1.191604
C -0.028790 0.100769 0.962278
C -0.721647 -2.337659 0.738723
C -3.164640 -2.747953 0.855611
C 2.845109 -1.360356 0.891251
C 5.245734 -1.457286 0.382223
C 5.629045 -0.170143 -0.316491
C -4.036392 0.222780 -1.440032
C -4.032235 -1.824267 -0.014095
C -4.473416 1.411556 -0.618983
C 6.234084 -0.200874 -1.598570
C 5.391383 1.083069 0.305896
C -5.812613 1.514525 -0.163868
C -3.542733 2.433213 -0.292678
C 6.592216 0.998752 -2.253071
C 5.749454 2.283093 -0.347150
C -6.219662 2.628077 0.604593
C -3.950957 3.544113 0.477366
C 6.350999 2.244144 -1.627228
C -5.289947 3.644893 0.924853
H 0.598917 -1.502904 2.278797
H 0.876016 0.726942 0.988450
H -0.691697 0.419339 1.800132
H 1.503374 -2.378003 -0.352860
H -2.019105 -1.409474 2.079978
H -2.863773 -3.610726 0.231327
H -3.802036 -3.124941 1.673002
H 5.318939 -1.360992 1.479239
H 5.845553 -2.310407 0.027809
H -3.279272 0.481829 -2.196130
H -4.883859 -0.312021 -1.898411
H -1.523385 -0.161165 -0.379168
H 6.419881 -1.166522 -2.084968
H 4.912759 1.104658 1.291455
H -6.526670 0.719004 -0.406917
H -2.501933 2.347654 -0.629751
H 7.058988 0.963936 -3.243883
H 5.562091 3.246417 0.140477
H -7.256540 2.704291 0.949843
H -3.229821 4.331017 0.724134
H 6.630397 3.175694 -2.132589
H -5.606518 4.510663 1.517388


