%chk=000246467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246467

0 1
S -5.348045 1.785459 -0.074766
O 2.296227 -0.515348 -1.678856
O 0.099464 -1.720478 2.030635
O -5.732678 2.122185 1.282472
O -5.375281 2.785556 -1.125992
N 2.944865 -1.092595 0.420153
N 4.362909 1.269724 -2.135161
N -0.067351 -0.921720 -0.128947
N -6.458890 0.567512 -0.575324
C 1.959187 -2.189423 0.509484
C 2.405107 -3.302206 1.501574
C 4.167860 0.747933 -0.764504
C 3.845197 1.884045 0.254386
C 3.054161 -0.320909 -0.732099
C 3.562072 -4.101906 0.898268
C 2.766843 -2.759635 2.884592
C 0.583150 -1.599223 0.925751
C 5.008955 2.875136 0.315357
C 2.529772 2.593105 -0.073249
C -1.336014 -0.282982 -0.060757
C -1.779974 0.391269 -1.224272
C -2.139621 -0.304494 1.095243
C -3.823570 0.998969 -0.069372
C -3.017789 1.023964 -1.215975
C -3.374979 0.337289 1.080641
H 1.847336 -2.656404 -0.513991
H 1.521990 -3.986424 1.623139
H 5.137932 0.263044 -0.463576
H 3.741327 1.407345 1.262795
H 3.517865 -0.931258 1.245054
H 3.873720 -4.908903 1.573544
H 3.286477 -4.568897 -0.054221
H 4.444515 -3.479152 0.714210
H 2.943072 -3.580205 3.591446
H 1.939412 -2.160148 3.299453
H 3.669749 -2.143365 2.882120
H 5.936183 2.398315 0.649570
H 4.792905 3.703364 0.998969
H 5.217203 3.311014 -0.672936
H 1.693856 1.893131 -0.184612
H 2.596004 3.177586 -0.999189
H 2.255488 3.298302 0.721680
H 4.408061 0.504061 -2.806715
H 3.578228 1.855701 -2.415022
H 0.447856 -0.820361 -1.031752
H -1.161905 0.418455 -2.120095
H -1.796256 -0.818636 2.000012
H -3.359703 1.555733 -2.112639
H -3.995118 0.330184 1.985659
H -6.912547 0.677161 -1.479063
H -7.143425 0.238131 0.101177


%chk=000246467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246467

0 1
S -5.412066 1.889193 -0.044250
O 2.084000 -0.475805 -1.669869
O 0.000453 -2.095102 2.109273
O -5.951663 1.999203 1.490312
O -5.257935 3.175610 -1.033233
N 2.897085 -1.133921 0.397579
N 4.273726 1.213722 -2.154345
N -0.069222 -0.996483 0.024985
N -6.533680 0.733536 -0.945594
C 1.955033 -2.267594 0.573793
C 2.532248 -3.329321 1.548960
C 4.054692 0.736053 -0.783330
C 3.700529 1.917583 0.197108
C 2.944868 -0.345171 -0.725405
C 3.681508 -4.119047 0.879909
C 2.973308 -2.735801 2.910772
C 0.532763 -1.777675 1.004676
C 4.915094 2.862385 0.321761
C 2.441203 2.685762 -0.263098
C -1.328983 -0.353396 0.066264
C -1.675408 0.451634 -1.058190
C -2.230118 -0.469862 1.162607
C -3.776858 0.977920 -0.007625
C -2.908879 1.123803 -1.103037
C -3.466858 0.205164 1.121845
H 1.837974 -2.726869 -0.429525
H 1.694644 -4.021841 1.756701
H 5.000211 0.288085 -0.416036
H 3.493202 1.471912 1.194552
H 3.548663 -0.949987 1.163991
H 4.067716 -4.894226 1.566096
H 3.344436 -4.623054 -0.044823
H 4.527118 -3.455970 0.614824
H 3.231558 -3.554033 3.606265
H 2.162308 -2.145676 3.367680
H 3.883541 -2.106603 2.825056
H 5.795376 2.342426 0.746653
H 4.678365 3.721014 0.976270
H 5.189194 3.242275 -0.677841
H 1.554071 2.030790 -0.344259
H 2.619174 3.155908 -1.247270
H 2.199797 3.489845 0.454813
H 4.964525 0.665131 -2.675516
H 3.392579 1.281951 -2.678341
H 0.519832 -0.831892 -0.821313
H -0.971627 0.547918 -1.892802
H -1.951884 -1.079588 2.023527
H -3.182103 1.761695 -1.948973
H -4.166468 0.150591 1.962054
H -6.986307 1.274947 -1.701489
H -7.208933 0.341864 -0.267862


