%chk=000292322.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292322

0 1
S 2.209387 -0.539472 -2.213875
O -0.260911 -0.162225 -0.719712
O 1.696371 -2.149509 -2.189351
O 1.297958 0.175025 -3.057024
O 3.603362 -0.645686 -2.571713
O 4.248528 0.882467 3.504987
O 5.441865 0.422546 1.758785
N 4.375487 0.581254 2.328543
C -1.586037 -2.578898 0.275111
C -1.607503 2.424366 -1.016305
C -2.168385 -1.164016 0.419032
C -2.179264 1.251139 -0.204392
C -1.561995 -0.014153 -0.125411
C -3.387736 -0.963520 1.079638
C -3.398429 1.383922 0.472184
C -2.607901 -3.655747 0.702161
C -0.336598 -2.723013 1.163788
C -1.240999 -2.829587 -1.202200
C -2.632474 3.572972 -1.147739
C -1.275471 1.935766 -2.433726
C -0.354589 2.982005 -0.314707
C -3.990230 0.300035 1.135297
C -5.279135 0.488323 1.866637
C 0.811845 0.042928 0.080640
C 2.059463 -0.122759 -0.560299
C 0.731783 0.395435 1.455580
C 3.228891 0.052077 0.190622
C 1.890173 0.570083 2.177514
C 3.149853 0.396216 1.542825
H -3.891336 -1.800545 1.564492
H -3.912384 2.345723 0.491178
H -3.532680 -3.589721 0.118418
H -2.863644 -3.583663 1.763958
H -2.202085 -4.660960 0.537778
H 0.560509 -2.325580 0.679181
H -0.118620 -3.778160 1.370297
H -0.461557 -2.223922 2.128998
H -0.440415 -2.167406 -1.566883
H -2.106914 -2.672102 -1.852932
H -0.884383 -3.852519 -1.361078
H -2.233990 4.373895 -1.782067
H -3.561835 3.233586 -1.618134
H -2.877334 4.021727 -0.180288
H -2.154173 1.524210 -2.939428
H -0.882058 2.744843 -3.057821
H -0.505562 1.144329 -2.448681
H -0.130181 3.998626 -0.661322
H -0.481942 3.030856 0.770511
H 0.537641 2.390046 -0.534938
H -5.455181 -0.288843 2.622366
H -5.323590 1.455301 2.386732
H -6.130535 0.457597 1.169026
H -0.247643 0.522362 1.922616
H 4.221838 -0.078701 -0.281916
H 1.866253 0.842042 3.241689
H 2.178094 -2.752394 -2.777346


%chk=000292322-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000292322

0 1
S 2.429555 -0.526070 -2.221143
O -0.211393 -0.190281 -0.659614
O 1.924125 -2.301854 -2.031124
O 1.407092 0.211888 -3.229145
O 4.016104 -0.457284 -2.520380
O 4.285854 0.991754 3.732247
O 5.582513 0.538247 1.906538
N 4.438455 0.675044 2.488175
C -1.642319 -2.637845 0.273498
C -1.598748 2.442039 -1.040774
C -2.185041 -1.186125 0.436920
C -2.162072 1.257551 -0.197348
C -1.547177 -0.027874 -0.099286
C -3.439162 -0.962118 1.063381
C -3.415191 1.386643 0.454651
C -2.633775 -3.681376 0.862214
C -0.272019 -2.866675 0.982481
C -1.497874 -2.939787 -1.251290
C -2.589535 3.641320 -1.060844
C -1.416225 1.967770 -2.516413
C -0.245675 2.993782 -0.496025
C -4.048627 0.309983 1.114533
C -5.388122 0.505378 1.804002
C 0.879718 0.035998 0.154316
C 2.177493 -0.087729 -0.409797
C 0.790430 0.386807 1.530859
C 3.350842 0.108663 0.323928
C 1.949516 0.594993 2.288987
C 3.219528 0.456972 1.682566
H -3.964424 -1.805071 1.518461
H -3.924329 2.353258 0.440370
H -3.632809 -3.619976 0.393761
H -2.748218 -3.579208 1.957803
H -2.237514 -4.693347 0.663950
H 0.566217 -2.422493 0.426095
H -0.072751 -3.952774 1.041953
H -0.277031 -2.469596 2.014185
H -0.781845 -2.254873 -1.732393
H -2.474923 -2.850262 -1.761282
H -1.129402 -3.973708 -1.389978
H -2.179585 4.422391 -1.725723
H -3.580650 3.356812 -1.458275
H -2.723808 4.094701 -0.060644
H -2.381679 1.631936 -2.938257
H -1.048704 2.810707 -3.131462
H -0.687349 1.146916 -2.605122
H -0.023951 3.958120 -0.989398
H -0.287896 3.174090 0.593944
H 0.601228 2.325358 -0.712102
H -5.599616 -0.310097 2.516832
H -5.422322 1.460206 2.358607
H -6.216470 0.525905 1.069561
H -0.198504 0.489042 1.984052
H 4.337148 0.000972 -0.139774
H 1.894366 0.864303 3.347006
H 1.880154 -2.704526 -2.946986


