%chk=000182456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182456

0 1
S -3.846388 -0.209130 0.000952
O -3.895269 -0.905897 -1.259680
O -3.888201 -0.896243 1.267189
O -1.077751 -1.071482 -0.003399
O 5.331297 -0.697689 0.004488
N 0.002447 0.968354 -0.003938
C -2.433185 0.903361 -0.006894
C -1.135394 0.138245 -0.004481
C -5.162712 0.959275 0.000044
C 1.366486 0.516929 -0.001731
C 2.371829 1.502499 -0.001772
C 1.708064 -0.852618 0.000414
C 3.717250 1.129544 0.000288
C 3.043773 -1.232041 0.002466
C 4.035458 -0.234167 0.002372
H -2.479976 1.576820 0.871789
H -2.481625 1.566674 -0.893254
H -5.187377 1.602712 -0.886005
H -6.143934 0.455615 0.004446
H -5.182833 1.609304 0.881376
H -0.121535 1.980158 -0.005042
H 2.116099 2.560292 -0.003383
H 0.922864 -1.621219 0.000505
H 4.494984 1.886838 0.000281
H 3.335976 -2.282051 0.004161
H 5.988053 0.039317 0.004308


%chk=000182456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182456

0 1
S -3.294264 0.555533 0.684771
O -3.759540 -0.830214 1.402502
O -2.165938 1.536500 1.403668
O -0.770646 -0.921392 -2.201901
O 5.314239 -0.246516 0.383726
N -0.282205 0.322341 -0.247322
C -2.596171 0.173801 -1.123435
C -1.106483 -0.203266 -1.207589
C -4.841419 1.653694 0.428292
C 1.129286 0.153390 -0.124005
C 1.754526 0.761843 0.995062
C 1.916643 -0.580550 -1.053621
C 3.144271 0.645551 1.189062
C 3.305247 -0.695900 -0.856392
C 3.922384 -0.086146 0.259241
H -2.806091 1.099264 -1.687738
H -3.214648 -0.664480 -1.476394
H -5.558674 1.071043 -0.166585
H -5.211599 1.845794 1.445095
H -4.507585 2.574278 -0.069286
H -0.751118 0.887666 0.498760
H 1.150922 1.322437 1.718460
H 1.437100 -1.051792 -1.913353
H 3.613715 1.119847 2.060233
H 3.925524 -1.257601 -1.560872
H 5.650925 0.208277 1.195121


