%chk=000293059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293059

0 1
S -3.882624 -0.875013 -0.656818
S 4.030227 -0.699938 0.676940
O -3.441588 0.090439 -1.631026
O -4.187143 -2.238970 -1.011247
O 3.521093 0.239338 1.642586
O 4.417529 -2.041018 1.039755
N -2.696442 -0.948575 0.612581
N 2.858104 -0.863348 -0.598135
N -5.265692 -0.233678 0.134797
N 5.375614 0.022572 -0.108855
C -0.639583 0.347350 0.094083
C 0.751158 0.369014 -0.136390
C -1.445017 1.613990 0.131143
C 1.505250 1.665914 -0.220763
C -1.293524 -0.895122 0.261627
C 1.452032 -0.852641 -0.257494
C -0.658689 2.887236 0.004974
C 0.667663 2.902328 -0.170884
C -0.579628 -2.102254 0.154937
C 0.783694 -2.081492 -0.110991
C -1.474917 4.141110 0.070161
C -5.929133 -1.142546 1.099213
C -5.131726 1.160862 0.618661
C 6.086305 -0.841593 -1.080826
C 5.165779 1.411312 -0.582268
H -2.184207 1.574802 -0.715447
H -2.048245 1.637727 1.065465
H 2.228472 1.698530 0.638968
H 2.120954 1.673193 -1.147918
H 1.225324 3.830433 -0.273539
H -1.090823 -3.057611 0.273062
H 1.330261 -3.020529 -0.197206
H -2.856736 -1.669706 1.334742
H 3.053007 -1.602887 -1.292714
H -1.988410 4.232845 1.036185
H -2.240808 4.158034 -0.717742
H -0.865875 5.045630 -0.056517
H -6.963397 -0.791041 1.273232
H -6.014930 -2.156730 0.660694
H -5.429945 -1.211729 2.078047
H -6.130822 1.559892 0.870286
H -4.486083 1.271125 1.505512
H -4.732728 1.796016 -0.196109
H 6.232815 -1.850959 -0.647635
H 7.097502 -0.429725 -1.257726
H 5.587159 -0.934696 -2.057793
H 4.517000 1.493045 -1.469964
H 6.141838 1.866802 -0.828305
H 4.731037 2.017661 0.236462


%chk=000293059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000293059

0 1
S -4.238930 -0.916538 -0.712401
S 4.382612 -0.687141 0.734329
O -3.763030 0.035226 -1.947983
O -4.798412 -2.425671 -0.988976
O 3.832131 0.286656 1.919750
O 5.016068 -2.151306 1.084322
N -2.554467 -1.118877 0.920239
N 2.739585 -1.032735 -0.916353
N -5.688970 0.003037 0.106353
N 5.796437 0.275349 -0.101315
C -0.615185 0.153252 0.152743
C 0.732045 0.176755 -0.227765
C -1.434040 1.420540 0.301175
C 1.478901 1.477636 -0.445904
C -1.273329 -1.119390 0.416803
C 1.454282 -1.072985 -0.424820
C -0.675114 2.713886 0.073155
C 0.636409 2.719601 -0.274100
C -0.543402 -2.353491 0.214715
C 0.783688 -2.330174 -0.168015
C -1.482859 3.984147 0.242929
C -6.227190 -0.746663 1.258892
C -5.392222 1.430749 0.328309
C 6.416878 -0.506646 -1.189544
C 5.406148 1.660513 -0.426958
H -2.284261 1.370021 -0.412866
H -1.909071 1.421454 1.304949
H 2.332764 1.510389 0.263904
H 1.947201 1.453572 -1.451898
H 1.147399 3.678616 -0.434689
H -1.060423 -3.304616 0.390108
H 1.346393 -3.262335 -0.299275
H -2.870355 -2.093414 1.122235
H 3.102881 -1.998851 -1.074120
H -1.900729 4.058591 1.267109
H -2.343900 4.005294 -0.455266
H -0.872699 4.884798 0.058009
H -7.252472 -0.376225 1.445560
H -6.293774 -1.814906 0.993836
H -5.630081 -0.619488 2.187441
H -6.359682 1.952024 0.455107
H -4.766253 1.619214 1.226707
H -4.897391 1.838721 -0.568212
H 6.545563 -1.549332 -0.854957
H 7.420301 -0.079148 -1.373042
H 5.841140 -0.478362 -2.139712
H 4.786081 1.740597 -1.345336
H 6.337360 2.238599 -0.576366
H 4.867076 2.094457 0.430995


