%chk=000286035.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286035

0 1
S -0.001244 -3.006537 -0.022821
O 0.013928 -3.728352 -1.288858
O -0.019636 -3.748791 1.231296
O 2.349937 0.352016 3.194308
O -2.336048 0.416146 -3.183731
O 4.413535 0.422248 2.573926
O -4.399919 0.483777 -2.563974
N 4.377327 0.938123 -0.409585
N -4.364270 0.948978 0.427911
N 3.229715 0.186030 2.358957
N -3.217217 0.239388 -2.352058
C 4.722773 2.047509 0.527907
C 5.091471 1.113034 -1.717226
C -4.704666 2.075380 -0.490979
C -5.077877 1.105184 1.738215
C 5.420128 3.115099 -0.328487
C 5.947015 2.381702 -1.572382
C -5.398405 3.131180 0.382802
C -5.928875 2.379067 1.613928
C 3.537333 -0.106140 -0.170135
C -3.527706 -0.094061 0.171630
C 2.842112 -0.343067 1.065921
C -2.832777 -0.313118 -1.067880
C 1.364712 -1.947372 -0.028813
C -1.362606 -1.941704 0.000456
C 3.228364 -1.001017 -1.263757
C -3.222651 -1.008078 1.250400
C 1.731710 -1.225237 1.084429
C -1.726120 -1.199554 -1.100699
C 2.172711 -1.872644 -1.192275
C -2.170616 -1.882805 1.164801
H 3.807623 2.440236 1.017016
H 5.405143 1.667794 1.331986
H 5.717576 0.221041 -1.934397
H 4.345152 1.220418 -2.535723
H -3.787643 2.472701 -0.972807
H -5.387926 1.711870 -1.301759
H -5.707112 0.211986 1.940893
H -4.331251 1.196647 2.558371
H 6.236642 3.604103 0.231560
H 4.714386 3.916921 -0.613907
H 5.881508 3.015811 -2.473495
H 7.015361 2.122805 -1.449749
H -6.212678 3.632685 -0.169407
H -4.689742 3.925363 0.681997
H -5.861913 2.997824 2.525537
H -6.998022 2.125990 1.486164
H 3.840945 -0.986376 -2.161518
H -3.835373 -1.005685 2.148193
H 1.177940 -1.330834 2.032331
H -1.172375 -1.291640 -2.050025
H 1.938427 -2.532062 -2.042377
H -1.939308 -2.557082 2.003991


%chk=000286035-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286035

0 1
S -0.000858 -2.848325 -0.016614
O -0.057140 -3.607860 -1.467406
O 0.051906 -3.628176 1.423465
O 3.244479 -0.259911 3.397563
O -3.217007 -0.179276 -3.395161
O 5.258004 -0.322410 2.316424
O -5.236343 -0.254216 -2.325706
N 4.772218 0.920624 -0.368408
N -4.758924 0.934956 0.384952
N 3.957305 -0.324178 2.315866
N -3.935692 -0.261442 -2.318540
C 5.217600 1.878489 0.679096
C 5.333007 1.285871 -1.701868
C -5.194507 1.914594 -0.646301
C -5.326882 1.275582 1.721830
C 5.798519 3.060816 -0.125742
C 6.386780 2.366236 -1.378095
C -5.777428 3.082591 0.177942
C -6.375343 2.365471 1.412822
C 3.797263 -0.041846 -0.230432
C -3.787169 -0.028792 0.233576
C 3.264169 -0.503385 1.034973
C -3.249893 -0.468341 -1.037874
C 1.503257 -1.716131 -0.088192
C -1.499967 -1.710475 0.070242
C 3.189217 -0.602826 -1.413651
C -3.187112 -0.614689 1.408752
C 2.094004 -1.297716 1.099984
C -2.083215 -1.266859 -1.112489
C 2.061737 -1.424402 -1.351061
C -2.062837 -1.439885 1.335838
H 4.364095 2.164566 1.322214
H 5.976899 1.410838 1.333382
H 5.766969 0.400443 -2.200754
H 4.534324 1.696072 -2.354742
H -4.335838 2.210411 -1.278062
H -5.950736 1.462294 -1.314849
H -5.766583 0.381782 2.200328
H -4.531236 1.670391 2.387735
H 6.553854 3.616556 0.453305
H 4.998002 3.765553 -0.417503
H 6.543068 3.054614 -2.224627
H 7.354783 1.893814 -1.132475
H -6.527820 3.651378 -0.394844
H -4.977006 3.779603 0.488001
H -6.534672 3.037620 2.271729
H -7.343264 1.901081 1.152121
H 3.603186 -0.359119 -2.393988
H -3.604545 -0.387615 2.391632
H 1.719361 -1.624517 2.075193
H -1.705815 -1.577002 -2.092043
H 1.614745 -1.850965 -2.255399
H -1.621421 -1.884986 2.233965


