%chk=000224690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224690

0 1
S -1.710727 1.240268 0.213821
O 3.867237 -2.821782 1.929300
N -5.687536 0.599711 -0.389507
N 0.832261 -0.295071 -0.975368
N 2.846129 1.606660 -1.270059
C -4.404195 0.747823 0.373239
C -6.841815 1.224540 0.317988
C -5.937285 -0.827332 -0.776797
C -3.282708 0.952869 -0.645789
C -1.114839 -0.429225 0.597656
C -0.398795 -1.027987 -0.611858
C 2.023021 -0.474556 -0.279506
C -7.201979 0.632565 1.683545
C -6.946555 -0.891814 -1.924265
C 3.101758 0.487716 -0.491872
C 4.373424 0.255729 0.108171
C 2.253333 -1.578540 0.544565
C 3.532594 -1.762561 1.116007
C 4.588810 -0.882289 0.916865
C 5.405753 1.225432 -0.140593
C 5.140670 2.320427 -0.917391
C 3.824717 2.480538 -1.470064
C 2.865497 -3.829482 2.202490
H -4.466075 1.635637 1.043333
H -4.191343 -0.118535 1.034566
H -6.614492 2.309569 0.423638
H -7.720929 1.161013 -0.362685
H -4.974179 -1.269416 -1.115654
H -6.290456 -1.447848 0.075602
H -3.479932 1.855028 -1.264563
H -3.210241 0.112638 -1.357728
H -0.421922 -0.322293 1.460002
H -1.939390 -1.079128 0.937801
H -0.152252 -2.099206 -0.414214
H -1.062460 -1.027129 -1.509394
H -7.456479 -0.430661 1.610646
H -6.380362 0.725722 2.401331
H -8.069068 1.145180 2.114912
H -7.956939 -0.622391 -1.597061
H -6.672618 -0.194481 -2.727916
H -6.990796 -1.897870 -2.353125
H 0.674158 0.626332 -1.406636
H 1.465436 -2.296864 0.729486
H 5.553682 -1.067217 1.375653
H 6.387822 1.063346 0.301917
H 5.897368 3.072952 -1.126249
H 3.595793 3.356260 -2.086674
H 2.020312 -3.388866 2.738114
H 2.554624 -4.317803 1.274623
H 3.419167 -4.525713 2.846296


%chk=000224690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000224690

0 1
S -1.727283 1.478404 0.547100
O 3.871453 -2.915264 1.939702
N -5.744730 0.569681 -0.295413
N 0.883704 -0.085211 -0.830804
N 2.954764 1.557212 -1.331684
C -4.523342 0.840722 0.500101
C -6.994359 1.122037 0.283336
C -5.822933 -0.829202 -0.782484
C -3.340464 1.213118 -0.417970
C -1.134902 -0.318641 0.659203
C -0.381671 -0.772000 -0.614696
C 2.087964 -0.418869 -0.242130
C -7.505488 0.446878 1.586650
C -6.845745 -1.027870 -1.916523
C 3.209901 0.462295 -0.529789
C 4.511853 0.167667 0.023274
C 2.296056 -1.541509 0.589253
C 3.598030 -1.809405 1.114360
C 4.696869 -0.979785 0.845403
C 5.566537 1.086222 -0.306920
C 5.300851 2.191489 -1.118827
C 3.973321 2.393705 -1.613755
C 2.778250 -3.834189 2.255772
H -4.714611 1.689391 1.181651
H -4.235934 -0.021903 1.149065
H -6.818947 2.197628 0.476387
H -7.785995 1.074948 -0.487365
H -4.819917 -1.098559 -1.166135
H -6.042030 -1.550321 0.046114
H -3.541232 2.163275 -0.938826
H -3.159539 0.439639 -1.185454
H -0.472477 -0.354615 1.540575
H -2.015507 -0.958219 0.852621
H -0.205030 -1.866166 -0.561470
H -1.025975 -0.601576 -1.497509
H -7.757592 -0.617123 1.424424
H -6.747788 0.500999 2.390172
H -8.418324 0.956950 1.946907
H -7.884239 -0.880260 -1.569842
H -6.650036 -0.313731 -2.735856
H -6.773963 -2.055095 -2.318891
H 0.906943 0.805899 -1.340693
H 1.461261 -2.204102 0.830330
H 5.673457 -1.222689 1.273459
H 6.573867 0.907550 0.086696
H 6.089151 2.904384 -1.381200
H 3.739777 3.255173 -2.249750
H 1.966619 -3.325651 2.812485
H 2.364610 -4.304168 1.341899
H 3.232019 -4.607250 2.893646


