%chk=000221220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221220

0 1
O -4.139568 -1.946217 -0.000480
O 4.146552 -1.938508 0.000784
O -5.017481 0.140157 0.005562
O 5.020396 0.149572 -0.005992
N -2.450938 1.264007 0.006976
N 2.451587 1.268505 -0.006470
C -1.212095 1.907318 0.003536
C 1.211490 1.909519 -0.003336
C 0.000327 1.187841 0.000197
C -1.218100 3.325444 0.003407
C 1.214863 3.327681 -0.003650
C -2.580654 -0.201947 0.007500
C 2.584228 -0.197256 -0.006860
C -0.002243 4.004018 -0.000223
C -4.048164 -0.581030 0.004668
C 4.052486 -0.573506 -0.004204
C -5.496767 -2.523954 -0.004420
C 5.504881 -2.513604 0.003913
C -5.249755 -4.015512 -0.009383
C 5.260773 -4.005639 0.009122
H 0.001247 0.109803 0.000368
H -3.316293 1.801376 0.010443
H 3.315915 1.807516 -0.010367
H -2.150010 3.876287 0.005984
H 2.145746 3.880260 -0.006388
H -2.078111 -0.650043 -0.887711
H -2.082010 -0.649254 0.905263
H 2.082747 -0.646250 0.888506
H 2.086347 -0.645729 -0.904471
H -0.003245 5.096120 -0.000389
H -6.014238 -2.161367 0.900412
H -6.011700 -2.154934 -0.908102
H 6.021071 -2.150065 -0.901267
H 6.019659 -2.143524 0.907249
H -6.194549 -4.573478 -0.012698
H -4.674193 -4.332152 0.871800
H -4.671725 -4.325867 -0.891190
H 6.206651 -4.561769 0.011923
H 4.685311 -4.323462 -0.871701
H 4.683866 -4.317056 0.891291


%chk=000221220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221220

0 1
O -4.193293 -1.981195 -0.002398
O 4.200272 -1.973107 0.002270
O -5.008895 0.205322 0.000255
O 5.011869 0.214907 -0.000478
N -2.455950 1.226522 -0.000354
N 2.456974 1.231364 0.000471
C -1.236014 1.907875 -0.000108
C 1.235705 1.910334 0.000218
C 0.000546 1.202295 0.000049
C -1.232319 3.333796 -0.000104
C 1.229199 3.336242 0.000232
C -2.576680 -0.215646 -0.000411
C 2.580439 -0.210570 0.000321
C -0.002241 4.020543 0.000069
C -4.050402 -0.602379 -0.000950
C 4.054869 -0.594557 0.000706
C -5.600216 -2.501771 -0.002393
C 5.608124 -2.491158 0.002247
C -5.504250 -4.023000 -0.003955
C 5.514868 -4.012557 0.004025
H 0.001633 0.108479 0.000055
H -3.332270 1.751923 0.000565
H 3.332288 1.758436 -0.000582
H -2.180096 3.884285 -0.000287
H 2.175891 3.888591 0.000425
H -2.099295 -0.686819 -0.888551
H -2.100148 -0.686942 0.888205
H 2.103987 -0.682770 0.888415
H 2.104737 -0.682642 -0.888333
H -0.003334 5.117042 0.000076
H -6.111942 -2.106849 0.893542
H -6.112606 -2.105057 -0.897154
H 6.119084 -2.095449 -0.893779
H 6.119863 -2.093407 0.896920
H -6.519561 -4.459599 -0.003931
H -4.970409 -4.386099 0.890512
H -4.971222 -4.384316 -0.899627
H 6.530953 -4.447348 0.003991
H 4.981609 -4.376724 -0.890354
H 4.982541 -4.374692 0.899783


