%chk=000187621.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187621

0 1
S -0.445401 -0.128011 -1.580591
O -0.333150 3.746241 1.710144
O 0.380376 -1.280497 -1.900122
O -1.067780 0.581596 -2.687392
N 0.545558 1.012612 -0.734396
C 0.364896 2.617440 1.096179
C -0.137745 2.255890 -0.294115
C 1.075845 3.917825 1.349099
C 1.967238 1.222427 -1.159239
C -1.671495 -0.520758 -0.429168
C 2.857002 0.362889 -0.268810
C 2.200169 0.949365 -2.645987
C -1.425629 -1.192271 0.773446
C -2.984710 -0.152595 -0.774741
C -4.058032 -0.437888 0.068510
C -0.055949 -1.630226 1.214235
C 3.556101 0.978679 0.781117
C 2.995626 -1.016345 -0.473214
C -2.516109 -1.486171 1.622326
C -3.809947 -1.117411 1.277711
C -5.459505 -0.044289 -0.311681
C 4.392330 0.223612 1.608008
C 3.833155 -1.768527 0.354686
C 0.286770 -3.005235 0.642506
C 4.534600 -1.151140 1.395049
C -6.143386 -1.148734 -1.116707
H 0.523763 1.769185 1.772493
H 0.006817 3.097726 -1.010066
H -1.243927 2.108797 -0.234190
H 1.245563 4.633388 0.548822
H 1.742770 4.031251 2.200520
H 2.231328 2.304021 -0.976528
H 1.511211 1.518151 -3.284371
H 2.080599 -0.115206 -2.911135
H 3.221437 1.222930 -2.936396
H -3.169057 0.363909 -1.727597
H 0.002339 -1.661304 2.322599
H 0.729434 -0.897407 0.919689
H 3.451222 2.047432 0.955527
H 2.431639 -1.508801 -1.276610
H -2.335885 -2.015908 2.557380
H -4.640718 -1.355656 1.943446
H -6.055882 0.186515 0.595048
H -5.450524 0.897578 -0.899581
H 4.934823 0.707242 2.417794
H 3.938826 -2.838852 0.185704
H 0.356527 -2.967716 -0.459699
H 1.259233 -3.350383 1.011078
H -0.463299 -3.758029 0.903839
H 5.188817 -1.737724 2.036222
H -6.199101 -2.085454 -0.549787
H -7.165297 -0.864840 -1.391901
H -5.598988 -1.363923 -2.044853


%chk=000187621-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187621

0 1
S -0.453963 -0.190380 -1.549574
O -0.317333 4.109067 1.512936
O 0.431076 -1.514747 -1.889103
O -1.156034 0.613644 -2.791669
N 0.623435 0.970593 -0.469972
C 0.260059 2.757706 1.165988
C -0.160472 2.216113 -0.195215
C 1.170186 3.938771 1.312045
C 2.022798 1.245695 -1.009611
C -1.847256 -0.614276 -0.317733
C 3.073549 0.442923 -0.239856
C 2.169589 1.126559 -2.549293
C -1.593783 -1.347284 0.865129
C -3.116011 -0.176127 -0.734581
C -4.248756 -0.463825 0.065459
C -0.237720 -1.871429 1.312113
C 3.987649 1.126807 0.600278
C 3.177547 -0.966959 -0.361293
C -2.749272 -1.613538 1.651537
C -4.037471 -1.187611 1.266824
C -5.641058 -0.044734 -0.380701
C 4.993027 0.424034 1.303800
C 4.179473 -1.670099 0.342438
C 0.006951 -3.335087 0.854417
C 5.091596 -0.979727 1.176026
C -6.258641 -1.046998 -1.393337
H 0.216771 2.025755 1.982864
H -0.037163 2.991863 -0.979508
H -1.235565 1.965019 -0.146149
H 1.563808 4.431078 0.412585
H 1.774754 4.046453 2.220708
H 2.184936 2.312991 -0.759180
H 1.409932 1.737347 -3.068988
H 2.063797 0.082757 -2.887018
H 3.172876 1.482466 -2.842177
H -3.208032 0.377498 -1.676941
H -0.194147 -1.825958 2.417340
H 0.573292 -1.227803 0.932479
H 3.918125 2.218232 0.700911
H 2.464358 -1.505831 -0.995992
H -2.616986 -2.167071 2.588978
H -4.895398 -1.415538 1.910968
H -6.305297 0.037975 0.500248
H -5.601065 0.957697 -0.847414
H 5.694440 0.968430 1.946347
H 4.250157 -2.759019 0.239052
H 0.027030 -3.391265 -0.247039
H 0.980474 -3.691885 1.237530
H -0.781614 -4.012180 1.231054
H 5.868910 -1.529552 1.718742
H -6.344027 -2.055744 -0.950584
H -7.267470 -0.718413 -1.702317
H -5.631562 -1.128990 -2.299253


