%chk=000233054.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233054

0 1
S 1.142767 -2.009605 0.431378
O -3.163113 1.452136 0.540990
O 0.605964 -2.692813 -0.737269
O 1.323488 -2.740784 1.670711
N 0.067992 -0.732525 0.834225
C -0.722797 -0.049450 -0.225264
C -0.740566 1.429087 0.104319
C -2.125887 -0.610808 -0.318632
C -1.923390 2.082009 0.477180
C -3.241299 0.138601 0.076344
C 2.586566 -1.197926 -0.039118
C 0.440396 2.186519 0.074446
C -2.354053 -1.910682 -0.798479
C -1.965357 3.443745 0.818997
C -4.552664 -0.360582 0.034151
C 3.368630 -0.476281 0.875994
C 0.423950 3.541997 0.406288
C -3.647861 -2.429174 -0.854703
C -0.775617 4.166400 0.780132
C -4.742315 -1.658680 -0.434415
C 2.982375 -1.287360 -1.383757
C 4.541667 0.162068 0.422009
C 2.982875 -0.362559 2.308805
C 4.141783 -0.657090 -1.825101
C 4.922457 0.070346 -0.913430
H -0.210041 -0.195887 -1.218494
H -0.430894 -0.780612 1.731755
H 1.378356 1.702240 -0.202696
H -1.500258 -2.523836 -1.125273
H -2.910216 3.901965 1.102417
H -5.381991 0.262934 0.358869
H 1.345555 4.119021 0.377007
H -3.808231 -3.440196 -1.225263
H -0.777732 5.224994 1.040336
H -5.748501 -2.076000 -0.477631
H 2.371814 -1.864503 -2.091685
H 5.153846 0.725119 1.124459
H 2.095447 0.280310 2.437961
H 2.721851 -1.346592 2.751539
H 3.775621 0.058389 2.940404
H 4.445264 -0.730356 -2.867458
H 5.833422 0.564423 -1.255849


%chk=000233054-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233054

0 1
S 1.150451 -2.019962 0.128563
O -3.218308 1.490195 0.689503
O 0.671661 -2.482782 -1.369892
O 1.226462 -3.103401 1.342448
N 0.037909 -0.642046 0.768286
C -0.855517 -0.014217 -0.288742
C -0.848636 1.488326 -0.042810
C -2.265265 -0.591335 -0.272651
C -1.994160 2.153349 0.455956
C -3.351758 0.154404 0.248181
C 2.802718 -1.114665 -0.112178
C 0.319245 2.257910 -0.266836
C -2.522254 -1.907898 -0.735472
C -1.984141 3.535804 0.746845
C -4.650527 -0.391278 0.344529
C 3.484895 -0.562176 0.998317
C 0.347640 3.639443 0.005682
C -3.814374 -2.464284 -0.656411
C -0.809524 4.277550 0.521687
C -4.878626 -1.705297 -0.106457
C 3.272657 -1.092672 -1.435999
C 4.727270 0.057838 0.695128
C 2.952864 -0.597763 2.415304
C 4.512155 -0.466121 -1.693382
C 5.234950 0.107545 -0.622920
H -0.376254 -0.247113 -1.260190
H -0.510464 -1.105720 1.522748
H 1.217889 1.752772 -0.640907
H -1.687828 -2.488183 -1.148441
H -2.895362 4.000621 1.134633
H -5.453668 0.225093 0.759071
H 1.259794 4.216934 -0.175945
H -3.992918 -3.482547 -1.016337
H -0.795366 5.350350 0.741895
H -5.883649 -2.135036 -0.036354
H 2.680151 -1.559481 -2.229691
H 5.298379 0.505121 1.516493
H 1.991861 -0.054370 2.476090
H 2.757357 -1.634515 2.741720
H 3.668147 -0.131688 3.112127
H 4.904807 -0.433196 -2.714505
H 6.198643 0.592492 -0.812887


