%chk=000299244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299244

0 1
S -1.318425 -1.903399 0.278543
O -0.040227 0.425673 0.115568
O 6.391530 2.330256 -0.365596
O 7.274795 0.637043 0.651210
O -6.476227 2.336565 0.294299
O -7.386152 0.607093 -0.634934
N 1.303674 -1.464476 0.078318
N 6.332556 1.221643 0.140214
N -6.441993 1.196028 -0.135154
C 2.566366 -0.774379 0.104711
C 2.685011 0.512534 -0.460018
C 3.687400 -1.395142 0.698524
C 5.028282 0.534317 0.132404
C 3.913178 1.164510 -0.445647
C 4.914813 -0.741689 0.708942
C 1.307785 -2.950010 0.031529
C 0.090868 -0.771138 0.133397
C -2.759121 -0.894361 0.135094
C -2.830015 0.414022 0.612092
C -3.866331 -1.536336 -0.435935
C -5.154386 0.467039 -0.041940
C -4.040639 1.106964 0.519623
C -5.077658 -0.851058 -0.521742
H 1.814099 1.011416 -0.901038
H 3.601452 -2.374335 1.169275
H 4.020970 2.164990 -0.883798
H 5.795157 -1.209094 1.167383
H 1.002237 -3.385367 1.000549
H 2.312547 -3.339226 -0.214045
H 0.637928 -3.323826 -0.767872
H -1.951392 0.912426 1.040730
H -3.795743 -2.557777 -0.817234
H -4.125376 2.138519 0.882257
H -5.964061 -1.324125 -0.960309


%chk=000299244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299244

0 1
S -1.385365 -2.175388 0.317001
O -0.133120 0.284146 0.021921
O 6.279004 2.469400 -0.617092
O 7.268664 0.810276 0.599379
O -6.386479 2.456030 0.559289
O -7.251980 1.001243 -0.970693
N 1.313443 -1.578782 0.120841
N 6.248843 1.337928 0.005398
N -6.322333 1.386793 -0.161405
C 2.532831 -0.810169 0.098589
C 2.623134 0.433707 -0.587752
C 3.682982 -1.328918 0.758143
C 4.967801 0.598503 0.039596
C 3.839660 1.135929 -0.617078
C 4.901026 -0.629561 0.730297
C 1.421656 -3.053767 0.256763
C 0.066727 -0.945639 0.115437
C -2.813103 -1.031605 0.155949
C -2.922586 0.143077 0.937459
C -3.850425 -1.415816 -0.728785
C -5.103320 0.546645 -0.052342
C -4.074729 0.945156 0.829163
C -5.012057 -0.625975 -0.832723
H 1.748996 0.846904 -1.090710
H 3.625933 -2.266457 1.317349
H 3.929424 2.087888 -1.146552
H 5.790105 -1.010318 1.239272
H 1.388943 -3.377226 1.312732
H 2.365729 -3.386125 -0.200564
H 0.598921 -3.540834 -0.290051
H -2.117851 0.432197 1.616103
H -3.746264 -2.320587 -1.334986
H -4.190580 1.860594 1.414594
H -5.830729 -0.893947 -1.505146


