%chk=000289059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289059

0 1
O -0.567650 -0.628892 2.160615
O -1.679052 -1.238990 -2.303343
O -2.868621 1.213729 0.164290
O -4.824284 0.252866 0.674959
N 0.375105 -0.755028 -1.270314
N -1.460858 -1.041213 0.047521
C 0.859353 -0.449512 0.108879
C 1.364718 1.006012 0.296901
C 1.919592 -1.478269 0.543519
C 2.705773 1.198209 -0.430751
C 3.273852 -1.255772 -0.158683
C 3.755298 0.192020 0.053621
C 0.313593 2.093228 -0.062521
C -0.429408 -0.683963 0.967824
C 4.309949 -2.255470 0.363183
C -1.001515 -1.013356 -1.329936
C 0.550367 3.336916 0.807458
C 0.289846 2.492349 -1.541244
C -2.873578 -1.187251 0.395561
C -3.649179 0.117718 0.434884
H 1.565065 1.102270 1.401327
H 1.559661 -2.506209 0.338594
H 2.049642 -1.417965 1.644461
H 3.068520 2.230872 -0.258192
H 2.573663 1.107830 -1.525182
H 3.137556 -1.429978 -1.254918
H 4.708350 0.354439 -0.483919
H 3.983472 0.363871 1.123044
H -0.705845 1.693555 0.192390
H 0.932356 -0.528867 -2.082492
H 4.489560 -2.139420 1.438073
H 3.989594 -3.290348 0.196598
H 5.274329 -2.130318 -0.142303
H -0.184411 4.119294 0.586260
H 1.542413 3.770143 0.641980
H 0.462307 3.106059 1.875318
H 1.219947 2.976581 -1.856322
H 0.113312 1.638723 -2.201046
H -0.519975 3.207974 -1.733483
H -2.959832 -1.674171 1.404136
H -3.374085 -1.867058 -0.346916
H -3.392100 2.063394 0.189066


%chk=000289059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289059

0 1
O -0.646998 -0.447540 2.096184
O -1.638132 -1.386375 -2.406424
O -3.110820 1.151471 0.282630
O -4.809989 -0.129554 1.218353
N 0.367983 -0.694344 -1.314724
N -1.468079 -0.989439 -0.054605
C 0.826546 -0.394159 0.062973
C 1.378085 1.062109 0.258785
C 1.874247 -1.438353 0.559576
C 2.759136 1.210040 -0.428544
C 3.257787 -1.279461 -0.115259
C 3.777459 0.165711 0.080441
C 0.365558 2.203657 -0.101567
C -0.486094 -0.592887 0.858884
C 4.251849 -2.327701 0.428568
C -0.962181 -1.053660 -1.401988
C 0.653133 3.451442 0.771904
C 0.342011 2.600930 -1.599589
C -2.854103 -1.272672 0.271920
C -3.698332 -0.058180 0.658328
H 1.544376 1.128188 1.355848
H 1.477315 -2.457239 0.384322
H 1.980214 -1.310753 1.655202
H 3.145119 2.231525 -0.249204
H 2.651152 1.111355 -1.528341
H 3.140244 -1.455848 -1.208302
H 4.745535 0.289801 -0.443032
H 3.971785 0.333537 1.160536
H -0.651053 1.848960 0.162720
H 0.971207 -0.698262 -2.133853
H 4.396059 -2.201443 1.518731
H 3.890593 -3.358007 0.253215
H 5.240382 -2.226873 -0.056502
H -0.057330 4.266013 0.537800
H 1.673456 3.843111 0.595243
H 0.558612 3.216130 1.848123
H 1.303950 3.045309 -1.916723
H 0.121110 1.742598 -2.256992
H -0.442756 3.360621 -1.772263
H -2.920699 -1.989567 1.107964
H -3.313266 -1.735535 -0.622404
H -3.708270 1.901346 0.550964


