%chk=000241173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241173

0 1
S -0.453889 -3.108982 0.907312
S 0.453520 -3.104807 -0.921751
O -2.768689 0.420170 -1.463470
O 2.765995 0.414056 1.462017
N -3.826591 -0.986389 0.029602
N 3.826984 -0.987918 -0.033161
N -5.126845 2.390099 -0.965563
N 5.125345 2.385376 0.975237
N -5.899612 -0.409435 1.158975
N 5.902280 -0.407492 -1.156544
N -6.797812 1.845866 0.506202
N 6.799283 1.845673 -0.494818
C -2.742577 -2.002918 -0.112878
C 2.742639 -2.004824 0.104076
C -1.642942 -1.752792 0.913785
C 1.643332 -1.749276 -0.921608
C -3.714622 0.240634 -0.721953
C 3.713501 0.236778 0.721960
C -4.827413 1.124722 -0.456429
C 4.826878 1.121628 0.461509
C -5.882682 0.801001 0.461313
C 5.884001 0.800732 -0.455094
C -4.898496 -1.232749 0.926979
C 4.900669 -1.231494 -0.929162
C -6.322891 2.786486 -0.358316
C 6.322650 2.783595 0.371686
H -3.177628 -3.022870 -0.014421
H -2.331590 -1.925104 -1.154527
H 3.177363 -3.024419 0.000674
H 2.331441 -1.931974 1.145985
H -1.142533 -0.777222 0.734136
H -2.041553 -1.696363 1.949788
H 1.143441 -0.774280 -0.737399
H 2.042198 -1.688175 -1.957247
H -4.878048 -2.199563 1.459533
H 4.881230 -2.196595 -1.464855
H -4.565889 2.883368 -1.638524
H 4.563043 2.876561 1.648601
H -6.809739 3.734477 -0.558003
H 6.809148 3.730920 0.575354


%chk=000241173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241173

0 1
S -0.231885 -4.004486 1.111872
S 0.230597 -3.998796 -1.128819
O -1.429560 -0.263493 -1.223644
O 1.430840 -0.268432 1.224164
N -3.043303 -0.978387 0.372827
N 3.043140 -0.976742 -0.376690
N -2.929019 2.466359 -1.036328
N 2.930966 2.461775 1.047824
N -4.768101 0.473509 1.292849
N 4.767928 0.478609 -1.291259
N -4.710658 2.786039 0.359805
N 4.711783 2.787040 -0.348065
C -2.431503 -2.335193 0.384486
C 2.430727 -2.333232 -0.394081
C -1.190910 -2.380051 1.292310
C 1.189328 -2.373296 -1.301047
C -2.438140 0.003436 -0.494378
C 2.438977 0.001408 0.495352
C -3.141513 1.253395 -0.389028
C 3.142695 1.251585 0.395103
C -4.249407 1.466724 0.473834
C 4.250086 1.468365 -0.467544
C -4.139441 -0.691952 1.197825
C 4.138905 -0.687042 -1.201046
C -3.895371 3.350055 -0.555092
C 3.897245 3.347294 0.569808
H -3.193212 -3.063778 0.709694
H -2.131879 -2.576817 -0.650881
H 3.191856 -3.060550 -0.723446
H 2.131979 -2.579639 0.640413
H -0.493421 -1.552231 1.088832
H -1.456467 -2.361850 2.365530
H 0.491986 -1.546604 -1.092526
H 1.454047 -2.349215 -2.374356
H -4.493043 -1.529794 1.807467
H 4.491843 -1.522279 -1.814631
H -2.205614 2.648156 -1.732396
H 2.208046 2.640745 1.745126
H -3.968405 4.380068 -0.896413
H 3.970777 4.375796 0.915548


