%chk=000208152.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208152

0 1
S -3.420833 1.921709 0.006044
O 2.398235 1.129872 -0.046666
O -1.546422 -2.075963 0.035911
N 6.844479 -0.671336 -0.024263
C 4.532399 0.189173 -0.026839
C 5.406991 -1.062043 -0.206659
C 3.053138 -0.181280 -0.014155
C -1.211958 0.255316 0.010494
C -1.716321 1.551762 -0.005311
C 1.028171 1.165014 -0.028638
C -3.546862 -0.842096 0.071025
C 0.183130 0.055867 -0.001023
C -2.067037 -0.973434 0.038655
C -4.229387 0.375002 0.060238
C -0.858688 2.670495 -0.032876
C 0.513004 2.486814 -0.044752
C 7.376738 0.008712 -1.242361
C 7.672999 -1.871818 0.298229
C -4.301639 -2.036102 0.114464
C -5.631443 0.429094 0.091157
C -5.691300 -1.996045 0.145716
C -6.357014 -0.759379 0.133877
H 4.808504 0.714143 0.912724
H 4.727057 0.928711 -0.830639
H 5.203537 -1.538776 -1.188999
H 5.142644 -1.811404 0.572168
H 2.746773 -0.704218 0.907286
H 2.740477 -0.747937 -0.907454
H 0.561161 -0.968392 0.011546
H -1.270543 3.682486 -0.044334
H 1.207365 3.326180 -0.065054
H 6.775626 0.909859 -1.445471
H 7.390566 -0.609503 -2.151507
H 8.405064 0.348672 -1.038511
H 8.715187 -1.552154 0.462000
H 7.671900 -2.659077 -0.469085
H 7.320960 -2.306318 1.247774
H -3.766735 -2.992534 0.122606
H -6.152521 1.387190 0.082381
H -6.265389 -2.920751 0.179289
H -7.447011 -0.731112 0.158417


%chk=000208152-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208152

0 1
S -3.570087 2.011992 0.039449
O 2.424730 1.350900 -0.091688
O -1.401969 -2.014894 0.056299
N 6.846025 -0.834885 -0.003312
C 4.591168 0.285922 -0.106360
C 5.385694 -1.037122 -0.149575
C 3.084198 0.028039 -0.063854
C -1.219406 0.377464 0.012356
C -1.786047 1.678896 0.002626
C 1.027641 1.378487 -0.057788
C -3.499443 -0.846478 0.083416
C 0.199239 0.244682 -0.017648
C -2.008407 -0.889706 0.051021
C -4.279748 0.343341 0.081959
C -0.944613 2.823877 -0.037258
C 0.446995 2.679149 -0.067354
C 7.449270 -0.092704 -1.129493
C 7.551195 -2.108837 0.249831
C -4.186079 -2.096782 0.118307
C -5.697684 0.282417 0.115002
C -5.585648 -2.163863 0.150719
C -6.346333 -0.964054 0.149119
H 4.897192 0.858483 0.787668
H 4.810160 0.909142 -0.992401
H 5.137435 -1.589584 -1.096718
H 5.057414 -1.680945 0.690731
H 2.789675 -0.508126 0.861899
H 2.750256 -0.567349 -0.939355
H 0.585402 -0.778550 -0.007770
H -1.385621 3.826483 -0.044186
H 1.107210 3.550911 -0.097759
H 7.014170 0.917861 -1.204114
H 7.313040 -0.605431 -2.116896
H 8.533052 0.022606 -0.951185
H 8.620920 -1.908694 0.439496
H 7.482635 -2.835445 -0.600363
H 7.131184 -2.594766 1.148706
H -3.564943 -2.998267 0.118571
H -6.283260 1.208392 0.113724
H -6.090917 -3.134657 0.177239
H -7.440693 -1.003507 0.174341


