%chk=000201131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201131

0 1
S -5.234453 1.651193 0.121084
O 0.744704 -4.855670 -1.427980
O -5.554513 3.042488 -0.148530
O -5.822351 0.609683 -0.706285
N 0.619486 -2.409902 0.043967
N 2.832635 0.229160 0.386792
N 1.560009 2.014779 -0.268261
C 1.057363 -1.454151 1.120287
C 0.210149 -3.713794 0.667477
C 1.689832 -2.640452 -0.979581
C 1.484260 -0.146305 0.558489
C -0.286988 -4.654622 -0.442427
C 1.157089 -3.616976 -2.040703
C 0.728079 0.969536 0.142363
C 2.836467 1.575258 -0.129547
C -0.730481 1.130864 0.120277
C 4.024318 -0.463652 0.628309
C 4.096489 2.197595 -0.396424
C -1.296350 2.374862 0.456392
C -1.563084 0.060633 -0.244477
C 5.211132 0.164735 0.362220
C -3.510454 1.455836 0.118276
C 5.247909 1.504458 -0.154475
C -2.682512 2.533251 0.447289
C -2.949169 0.229692 -0.246955
C -5.677310 1.317707 1.789874
H 1.850303 -1.874089 1.781395
H 0.163237 -1.281181 1.773637
H -0.612991 -3.516900 1.386857
H 1.033886 -4.203981 1.229648
H 2.630843 -3.035826 -0.543538
H 1.925482 -1.666014 -1.462742
H -0.467434 -5.678809 -0.071638
H -1.191311 -4.260696 -0.939677
H 0.305449 -3.189601 -2.599778
H 1.946643 -3.947153 -2.738131
H 3.950842 -1.479901 1.020206
H 4.081541 3.216205 -0.789607
H -0.644476 3.216629 0.699763
H -1.125887 -0.897562 -0.546147
H 6.155995 -0.349200 0.539911
H 6.223421 1.952312 -0.348581
H -3.117779 3.510148 0.683167
H -3.595702 -0.600702 -0.552884
H -5.238186 2.022974 2.504996
H -6.764720 1.385211 1.945292
H -5.398515 0.310928 2.120902


%chk=000201131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201131

0 1
S -5.353760 1.602677 0.108547
O 0.703809 -4.937930 -1.573986
O -5.675599 3.096748 -0.478811
O -5.981784 0.242969 -0.555770
N 0.704543 -2.495232 -0.009544
N 2.886734 0.233672 0.401384
N 1.573744 2.049298 -0.103495
C 1.175066 -1.551707 1.045487
C 0.261353 -3.788170 0.579365
C 1.708387 -2.723039 -1.082202
C 1.552379 -0.192113 0.531846
C -0.299668 -4.700109 -0.524693
C 1.121290 -3.651297 -2.156930
C 0.770094 0.947104 0.205090
C 2.854164 1.619314 0.011925
C -0.698258 1.072314 0.180464
C 4.090381 -0.439983 0.580910
C 4.085106 2.302106 -0.189460
C -1.273027 2.373630 0.250416
C -1.548275 -0.064383 0.057677
C 5.284959 0.238840 0.386474
C -3.471499 1.391386 0.164199
C 5.289382 1.621570 -0.002956
C -2.671186 2.544612 0.238242
C -2.950807 0.092662 0.052573
C -5.893167 1.612298 1.948741
H 2.032052 -1.987240 1.620167
H 0.343223 -1.437223 1.767283
H -0.525648 -3.589233 1.332598
H 1.105792 -4.312654 1.093525
H 2.641605 -3.187844 -0.672489
H 1.974471 -1.751631 -1.537663
H -0.553753 -5.695541 -0.125292
H -1.205820 -4.235094 -0.969439
H 0.251783 -3.158133 -2.641766
H 1.876945 -3.903107 -2.918572
H 4.040433 -1.491570 0.869555
H 4.044158 3.352051 -0.488769
H -0.601013 3.235460 0.299201
H -1.103707 -1.056860 -0.093151
H 6.224547 -0.300909 0.530014
H 6.242445 2.136360 -0.155506
H -3.130597 3.538688 0.253722
H -3.626451 -0.759417 -0.079984
H -5.396252 2.468544 2.424740
H -6.985488 1.729451 1.918790
H -5.590189 0.647667 2.378047


