%chk=000257108.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257108

0 1
S -0.783531 1.326694 1.137030
O -0.957378 0.418234 -2.287971
N 0.904393 0.049964 -1.024350
C -1.337531 -0.078950 0.085347
C -1.014254 -1.442565 0.706830
C -2.825779 0.160394 0.017613
C -0.520201 0.174120 -1.193529
C 1.027205 1.251478 1.145161
C 1.589294 0.495757 -0.026240
C -1.347843 -2.582906 -0.251487
C -3.519102 0.263282 -1.196165
C -3.543566 0.261770 1.225403
C 3.054889 0.230980 0.019693
C -4.900719 0.478076 -1.204859
C -4.922349 0.481494 1.210626
C -5.606018 0.591563 -0.004601
C 3.951467 1.263585 0.336140
C 3.537865 -1.055023 -0.267474
C 5.322911 1.002605 0.380303
C 4.911237 -1.309702 -0.215613
C 5.803411 -0.283621 0.109693
H -1.586848 -1.569288 1.650332
H 0.052353 -1.504515 1.000987
H 1.384180 2.305644 1.150354
H 1.377176 0.803703 2.099960
H -1.190515 -3.557902 0.223345
H -0.724899 -2.554416 -1.155311
H -2.395772 -2.542539 -0.578425
H -2.987148 0.183679 -2.151063
H -3.036407 0.165814 2.186141
H -5.425112 0.559249 -2.156232
H -5.466156 0.566625 2.149986
H -6.680366 0.763788 -0.014078
H 3.586849 2.270571 0.533211
H 2.840786 -1.848467 -0.543948
H 6.019966 1.804097 0.621680
H 5.285493 -2.308560 -0.437418
H 6.873818 -0.483413 0.146831


%chk=000257108-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257108

0 1
S -0.779535 1.805033 0.994287
O -1.001416 0.598640 -2.340349
N 0.864137 0.115231 -1.050616
C -1.352624 0.145412 0.095648
C -0.943647 -1.091725 0.944918
C -2.875885 0.233970 -0.030991
C -0.528987 0.315931 -1.207381
C 1.088412 1.550023 0.987527
C 1.611034 0.601307 -0.091769
C -1.177217 -2.424039 0.196028
C -3.564796 -0.128114 -1.218206
C -3.640140 0.581026 1.116821
C 3.050739 0.206059 -0.037886
C -4.978089 -0.133795 -1.251117
C -5.050078 0.583610 1.078575
C -5.727913 0.223047 -0.108797
C 3.927493 0.672984 0.980153
C 3.568184 -0.655774 -1.046641
C 5.283417 0.281953 0.992556
C 4.919546 -1.048176 -1.029379
C 5.783850 -0.581481 -0.008586
H -1.543687 -1.072856 1.872916
H 0.117183 -1.027283 1.246604
H 1.521412 2.557006 0.849312
H 1.397429 1.174345 1.978029
H -0.928700 -3.276727 0.852978
H -0.541095 -2.493065 -0.705351
H -2.231050 -2.527376 -0.116282
H -2.999437 -0.378005 -2.117460
H -3.126779 0.862937 2.044162
H -5.491380 -0.412782 -2.178251
H -5.617327 0.865278 1.972862
H -6.823210 0.223072 -0.142458
H 3.566402 1.343637 1.767003
H 2.886521 -0.991487 -1.833970
H 5.948332 0.649535 1.781548
H 5.304046 -1.711563 -1.811583
H 6.836654 -0.884488 0.003050


