%chk=000184142.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184142

0 1
S -6.330991 -0.568280 1.389236
O -2.397346 1.173094 -1.970477
O -7.053394 -0.816464 2.613283
O -6.376548 0.726442 0.753481
N -0.135337 -0.241635 -1.490232
N 3.542903 1.086922 0.261710
N -4.701340 -0.955395 1.809596
C 2.057571 -0.703715 -0.497935
C 1.092218 0.237309 -0.872370
C 3.287686 -0.225391 0.091426
C 1.345249 1.629702 -0.695972
C 4.302584 -1.196583 0.522472
C 2.601607 2.009293 -0.128694
C 4.066446 -2.576411 0.323684
C 1.887469 -2.132257 -0.698512
C 2.833641 -3.015940 -0.310337
C -1.260929 -0.333446 -0.588692
C 0.412441 2.664026 -1.043458
C 5.508208 -0.778739 1.132286
C 2.908426 3.406023 0.057511
C 5.038863 -3.515440 0.740383
C -2.484072 0.338850 -0.875926
C -1.215547 -1.154978 0.543063
C 0.727766 3.980661 -0.851727
C 6.451065 -1.712643 1.534976
C 1.994713 4.356544 -0.297642
C -3.556128 -0.700758 1.014010
C 6.214419 -3.087149 1.338124
C -3.627432 0.155074 -0.104177
C -2.344258 -1.337980 1.344582
C -6.725374 -1.781222 0.205128
C -3.570618 1.945063 -2.333537
H 0.966906 -2.458827 -1.192327
H -0.372190 0.323681 -2.323750
H 2.704838 -4.086514 -0.466956
H -0.560623 2.380122 -1.455362
H 5.685727 0.290565 1.281324
H 3.879175 3.660532 0.485622
H 4.856202 -4.577292 0.586864
H -0.281687 -1.659531 0.805564
H 0.023461 4.769163 -1.111557
H 7.377958 -1.388459 2.004406
H 2.207992 5.417167 -0.164649
H 6.962617 -3.811038 1.658739
H -4.538244 0.718687 -0.322152
H -2.275600 -1.978322 2.219782
H -4.510163 -1.327492 2.751090
H -5.903482 -2.008762 -0.492547
H -7.011447 -2.747512 0.649667
H -7.573121 -1.491824 -0.436281
H -3.868503 2.597105 -1.505216
H -4.382976 1.275960 -2.631763
H -3.200300 2.526721 -3.186958


%chk=000184142-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184142

0 1
S -5.991120 -2.207583 0.731919
O -2.703477 1.492878 -2.058851
O -7.280188 -2.703690 1.597866
O -6.145793 -1.760401 -0.832274
N -0.379394 1.151376 -0.893082
N 3.794254 1.044593 0.102305
N -5.111771 -0.526459 1.704886
C 1.650575 -0.146557 -0.259295
C 0.992223 1.087508 -0.535289
C 3.064350 -0.103004 0.094022
C 1.747440 2.309318 -0.522921
C 3.757289 -1.354885 0.427531
C 3.166958 2.225045 -0.220111
C 3.051875 -2.603171 0.336674
C 0.998270 -1.434390 -0.382519
C 1.669763 -2.606358 -0.098981
C -1.486324 0.667798 -0.189615
C 1.169617 3.600177 -0.771602
C 5.121902 -1.353759 0.832423
C 3.956116 3.423856 -0.233630
C 3.732878 -3.815514 0.657400
C -2.773298 0.858456 -0.806966
C -1.434704 0.059838 1.094183
C 1.964229 4.747417 -0.771880
C 5.773482 -2.556535 1.147914
C 3.371615 4.658170 -0.512656
C -3.887858 -0.172980 1.112548
C 5.076332 -3.795340 1.060485
C -3.950184 0.460898 -0.170580
C -2.610871 -0.385942 1.719151
C -4.709343 -3.660837 0.722521
C -3.967112 1.715093 -2.775667
H -0.038866 -1.469195 -0.726091
H -0.630503 1.727729 -1.703634
H 1.161509 -3.571400 -0.211723
H 0.090381 3.690579 -0.936750
H 5.637812 -0.391162 0.886503
H 5.022855 3.323089 -0.011911
H 3.191200 -4.766002 0.583355
H -0.469070 -0.063806 1.591449
H 1.510065 5.726559 -0.958636
H 6.822996 -2.544560 1.461423
H 3.981573 5.567963 -0.520387
H 5.591413 -4.730502 1.306195
H -4.935631 0.608376 -0.617377
H -2.551620 -0.870069 2.701715
H -4.998599 -0.904110 2.669667
H -3.767458 -3.245567 0.337939
H -4.632574 -4.020873 1.757586
H -5.138845 -4.414035 0.047398
H -4.624388 2.400656 -2.208864
H -4.489375 0.756926 -2.951918
H -3.680105 2.173096 -3.733045


