%chk=000271032.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271032

0 1
S -4.760152 1.411254 -0.647391
S -6.276113 -2.461016 0.932321
O 4.026522 0.051189 -1.884569
O -5.349692 2.341816 0.269623
O -5.143992 1.324612 -2.024981
N 5.081308 -0.073122 0.225154
N 4.951103 0.564290 1.457975
N 1.936844 1.169778 0.058314
N 1.149291 2.027607 -0.375798
N -4.909842 -0.204896 0.054451
N -7.330486 -0.313006 -0.096489
N -8.366041 -1.134004 0.179608
C 3.368244 1.540830 -0.001192
C 4.001073 1.470080 1.397243
C 4.138831 0.410487 -0.746488
C 6.039102 -1.142709 0.080641
C 3.578411 2.338652 2.510027
C -3.035063 1.524177 -0.538805
C -0.268912 1.758614 -0.383323
C 6.148046 -1.799063 -1.157882
C 6.856046 -1.511757 1.165664
C -2.447260 2.104111 0.591300
C -2.237413 1.077662 -1.598965
C -1.060351 2.220445 0.683254
C -0.848521 1.182040 -1.527401
C 7.082787 -2.826967 -1.300123
C 7.782167 -2.541717 0.998080
C 7.900128 -3.201706 -0.229963
C -6.129358 -0.817472 0.222950
C -8.057285 -2.296251 0.714812
C -8.950542 -3.384930 1.119148
H 3.597127 2.525631 -0.491109
H 2.567174 2.069772 2.859875
H 4.251720 2.251403 3.381630
H 3.558465 3.400128 2.217957
H 5.516299 -1.519129 -2.004923
H 6.769844 -1.002570 2.126490
H -3.077830 2.477180 1.409574
H -2.702521 0.647918 -2.496307
H -0.600041 2.671616 1.561204
H -0.221782 0.831104 -2.349040
H -4.086278 -0.739849 0.352360
H 7.171200 -3.338905 -2.258762
H 8.418037 -2.832199 1.834497
H 8.625295 -4.003547 -0.350897
H -10.009126 -3.125674 0.920735
H -8.744593 -4.317433 0.568113
H -8.875270 -3.605874 2.196608


%chk=000271032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271032

0 1
S -4.547224 0.017013 -1.596637
S -7.254219 -0.793640 2.025280
O 4.221263 1.136749 -1.519647
O -5.192468 1.313419 -2.311992
O -4.479720 -1.423663 -2.325637
N 5.258719 0.043812 0.344341
N 4.983560 -0.133016 1.743963
N 1.910683 0.645259 0.474125
N 1.074633 1.595376 0.176222
N -5.266063 -0.175500 0.131847
N -7.445903 -0.750941 -0.660938
N -8.716228 -1.119313 -0.199603
C 3.249526 1.181072 0.808370
C 3.853161 0.485303 2.020591
C 4.274231 0.805703 -0.311509
C 6.451319 -0.539832 -0.192012
C 3.247033 0.473450 3.387340
C -2.803161 0.467582 -0.999800
C -0.233525 1.127545 -0.218439
C 6.754243 -0.419695 -1.574007
C 7.326160 -1.242236 0.676793
C -2.504511 1.827731 -0.820659
C -1.874806 -0.578153 -0.835443
C -1.190186 2.154211 -0.423082
C -0.568670 -0.238711 -0.435280
C 7.935466 -1.009048 -2.072595
C 8.500609 -1.823281 0.157171
C 8.814290 -1.711893 -1.217496
C -6.575557 -0.545740 0.328363
C -8.836442 -1.199334 1.113901
C -10.083118 -1.568063 1.855551
H 3.222114 2.285607 0.912813
H 2.245169 0.004823 3.359080
H 3.884899 -0.090214 4.086300
H 3.113568 1.501229 3.774276
H 6.079634 0.124029 -2.238291
H 7.075753 -1.325779 1.736331
H -3.260091 2.596246 -1.011861
H -2.165176 -1.613344 -1.043363
H -0.882834 3.193548 -0.273564
H 0.200513 -1.003967 -0.297421
H -4.604447 -0.036160 0.897638
H 8.165688 -0.914911 -3.139462
H 9.172336 -2.365780 0.831494
H 9.728486 -2.165411 -1.614826
H -10.881874 -1.761966 1.121530
H -9.938577 -2.476533 2.467664
H -10.411656 -0.754983 2.527779


