%chk=000243639.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243639

0 1
O -0.594510 -0.097477 -1.652422
O 0.588080 -0.064319 1.651830
N -3.027055 -0.108575 -0.262656
N 3.020357 -0.122349 0.262971
N -1.797872 -0.090693 0.356733
N 1.791323 -0.111291 -0.356843
C -6.596918 -0.406838 0.604559
C 6.591870 -0.433098 -0.605738
C -7.864192 -0.406826 -0.036365
C 7.859374 -0.428557 0.034714
C -5.424186 -0.105748 -0.180111
C 5.417911 -0.138626 0.179771
C -6.540897 -0.710639 2.002507
C 6.536975 -0.734206 -2.004330
C -7.954603 -0.111611 -1.433954
C 7.949078 -0.135066 1.432690
C -9.039795 -0.705012 0.724947
C 9.036056 -0.720224 -0.727486
C -5.549337 0.172430 -1.527405
C 5.542668 0.138447 1.527415
C -6.824059 0.169195 -2.157576
C 6.817598 0.139963 2.157075
C -7.681903 -0.994053 2.710394
C 7.678946 -1.011209 -2.713145
C -8.951286 -0.991449 2.063541
C 8.948478 -1.004456 -2.066602
C -4.102341 -0.091839 0.478266
C 4.095784 -0.131317 -0.477994
C -0.649947 -0.093626 -0.445441
C 0.643462 -0.088031 0.445057
H -5.570709 -0.714666 2.500946
H 5.566517 -0.741068 -2.502477
H -8.935886 -0.116159 -1.907336
H 8.930545 -0.136087 1.905715
H -10.003809 -0.699938 0.217345
H 10.000173 -0.711898 -0.220114
H -4.665486 0.396209 -2.133197
H 4.658164 0.358056 2.133939
H -6.879658 0.393104 -3.222694
H 6.872646 0.362876 3.222437
H -7.636222 -1.225417 3.773829
H 7.633979 -1.240445 -3.777070
H -9.840360 -1.219934 2.649127
H 9.838379 -1.227945 -2.652853
H -4.125788 -0.071262 1.582174
H 4.118637 -0.137563 -1.582272
H -1.697841 -0.079821 1.387370
H 1.691361 -0.123442 -1.387469


%chk=000243639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243639

0 1
O -0.434870 -0.341714 -1.749778
O 0.429581 -0.344836 1.748515
N -3.010322 -0.337256 -0.438239
N 3.005042 -0.347463 0.436992
N -1.786839 -0.339802 0.205115
N 1.781560 -0.345463 -0.206371
C -6.607894 -0.329983 0.607205
C 6.602641 -0.350453 -0.608381
C -7.914218 -0.327420 -0.029103
C 7.908944 -0.352396 0.027975
C -5.425973 -0.332565 -0.238427
C 5.420688 -0.349813 0.237216
C -6.563868 -0.329795 2.042674
C 6.558676 -0.349302 -2.043853
C -8.009369 -0.327298 -1.457982
C 8.004046 -0.353518 1.456856
C -9.098092 -0.324957 0.781867
C 9.092852 -0.353151 -0.782950
C -5.573544 -0.332282 -1.642107
C 5.568213 -0.350946 1.640900
C -6.856485 -0.329612 -2.249883
C 6.851134 -0.352747 2.248719
C -7.734266 -0.327365 2.806177
C 7.729106 -0.350077 -2.807311
C -9.016329 -0.324950 2.173930
C 9.011145 -0.352031 -2.175015
C -4.077935 -0.335610 0.340726
C 4.072665 -0.348109 -0.341961
C -0.596825 -0.341759 -0.494272
C 0.591542 -0.344486 0.493009
H -5.603621 -0.331501 2.567617
H 5.598454 -0.347760 -2.568839
H -9.003166 -0.325369 -1.921198
H 8.997830 -0.355013 1.920102
H -10.074332 -0.323016 0.282625
H 10.069073 -0.354620 -0.283671
H -4.667245 -0.334223 -2.255597
H 4.661891 -0.350422 2.254360
H -6.936131 -0.329396 -3.341934
H 6.930740 -0.353519 3.340773
H -7.670464 -0.327265 3.899860
H 7.665347 -0.349160 -3.900996
H -9.925408 -0.323121 2.784593
H 9.920249 -0.352670 -2.785643
H -3.976475 -0.336376 1.441338
H 3.971220 -0.347165 -1.442574
H -1.688563 -0.340280 1.238461
H 1.683295 -0.344466 -1.239717


