%chk=000212909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212909

0 1
O 1.427242 1.198848 -0.011620
O -0.118545 1.742308 -2.213730
O 2.394575 0.155982 1.790035
N 3.646665 0.853296 -0.058128
C -0.782084 0.198633 -0.367474
C 0.097808 1.054735 0.576758
C -0.720267 -1.304745 -0.102284
C -2.206222 0.704359 -0.136377
C -0.304692 0.373823 -1.841573
C -1.578148 -2.143011 -0.840532
C -2.750270 1.724625 -0.928553
C 0.152848 -1.879645 0.826945
C -2.968218 0.175508 0.918694
C -1.548580 -3.525500 -0.658452
C -4.045015 2.191852 -0.685434
C 0.180135 -3.267334 1.008579
C -4.260587 0.646450 1.160832
C -0.665310 -4.094084 0.266880
C -4.804304 1.653922 0.357339
C 2.505974 0.672678 0.695267
C 4.988015 0.450256 0.468815
C 5.840018 1.702336 0.691023
C 5.639412 -0.510548 -0.528359
H 0.167173 0.638078 1.598766
H -0.253562 2.104427 0.620464
H 0.643637 -0.172038 -1.999040
H -1.070487 0.023867 -2.558583
H -2.283004 -1.709358 -1.549877
H -2.159168 2.166719 -1.738675
H 0.825597 -1.260144 1.429549
H -2.556531 -0.612097 1.550726
H 0.635841 2.131485 -1.713063
H -2.216349 -4.163155 -1.235337
H -4.459928 2.980171 -1.311428
H 0.867244 -3.698664 1.735613
H -4.845049 0.226906 1.977831
H -0.641635 -5.172313 0.408131
H -5.812038 2.018124 0.545036
H 4.826624 -0.075679 1.452087
H 3.598154 1.314461 -0.961748
H 6.818345 1.439522 1.111227
H 6.024448 2.255760 -0.236333
H 5.360231 2.394782 1.394899
H 5.009759 -1.392288 -0.706535
H 6.603412 -0.870941 -0.149304
H 5.828735 -0.043469 -1.501257


%chk=000212909-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212909

0 1
O 1.489912 0.988804 -0.255418
O -0.187032 1.767887 -2.402869
O 2.393563 0.502616 1.876604
N 3.742971 0.755994 -0.033084
C -0.871915 0.184233 -0.514103
C 0.110373 1.055431 0.316596
C -0.756125 -1.330759 -0.245022
C -2.281747 0.711209 -0.136309
C -0.545424 0.390897 -2.044261
C -1.635431 -2.208450 -0.938056
C -2.870773 1.797801 -0.836581
C 0.196806 -1.898935 0.637464
C -2.974551 0.164874 0.975578
C -1.561240 -3.605775 -0.763389
C -4.133238 2.301271 -0.449674
C 0.269348 -3.300616 0.818165
C -4.232610 0.673980 1.366701
C -0.603413 -4.161305 0.117644
C -4.820287 1.743048 0.652712
C 2.553837 0.729257 0.648723
C 5.049911 0.527320 0.623595
C 5.890547 1.824850 0.632993
C 5.794514 -0.640835 -0.059848
H 0.147631 0.762188 1.378536
H -0.191759 2.112450 0.241881
H 0.274116 -0.299620 -2.320181
H -1.431645 0.152802 -2.654224
H -2.401141 -1.790006 -1.602172
H -2.331818 2.252282 -1.674776
H 0.884311 -1.263814 1.204917
H -2.535911 -0.674842 1.526171
H 0.709222 1.944261 -2.013988
H -2.253227 -4.259333 -1.306652
H -4.576637 3.135001 -1.006364
H 1.008829 -3.715572 1.512678
H -4.753162 0.235151 2.225600
H -0.545262 -5.246283 0.260091
H -5.798288 2.136629 0.952274
H 4.807574 0.247923 1.664292
H 3.715564 0.949546 -1.035873
H 6.842497 1.661206 1.169634
H 6.133966 2.148605 -0.397110
H 5.344202 2.641750 1.135427
H 5.186356 -1.561799 -0.039786
H 6.749319 -0.841711 0.458205
H 6.029167 -0.400714 -1.114942


