%chk=000229213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229213

0 1
S -3.015982 -1.984096 -0.204744
O -3.971325 -2.703018 0.619205
O -2.786634 -2.412799 -1.560242
N -1.541037 -2.253111 0.710611
N -3.993307 3.815914 0.081326
N -0.482017 -1.520119 0.301073
C -3.296387 -0.310520 -0.126684
C -2.585863 0.569495 -0.960643
C -4.248084 0.202371 0.771152
C -3.781726 2.447519 -0.007154
C -2.818462 1.936211 -0.915495
C -4.502745 1.563017 0.839090
C 4.155476 -0.094971 0.334307
C 3.976555 1.282953 0.126104
C 5.419747 -0.669557 0.110395
C 3.047794 -0.945721 0.795684
C 1.791944 -0.838364 0.334721
C 5.046463 2.071755 -0.304883
C 6.482693 0.123856 -0.325095
C 0.708018 -1.703955 0.815179
C 6.299507 1.495402 -0.533142
H -1.838787 0.170699 -1.659165
H -4.802900 -0.486378 1.422649
H -2.262377 2.606605 -1.563740
H -5.240311 1.948074 1.536558
H -1.450935 -3.019954 1.392046
H 3.004875 1.737799 0.308924
H 5.567178 -1.736178 0.268722
H 3.323069 -1.691915 1.544843
H -3.587299 4.441689 -0.591646
H -4.754938 4.182909 0.623923
H 4.902411 3.139231 -0.462871
H 7.457842 -0.326738 -0.503041
H 1.517596 -0.104900 -0.429907
H 0.971411 -2.449512 1.575287
H 7.130337 2.111008 -0.870646


%chk=000229213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229213

0 1
S -2.890781 -1.768840 -0.409509
O -3.860012 -2.873874 0.293140
O -2.384451 -1.912798 -1.949181
N -1.372812 -1.790387 0.830280
N -5.163159 3.775618 0.347965
N -0.291734 -1.112171 0.358191
C -3.571396 -0.064875 -0.164765
C -3.194996 0.944728 -1.069586
C -4.457903 0.158473 0.905263
C -4.634224 2.502904 0.178212
C -3.731850 2.230882 -0.896297
C -4.991762 1.446221 1.072841
C 4.578738 -0.252032 0.250013
C 4.565726 0.860158 -0.645156
C 5.838520 -0.684279 0.760802
C 3.365351 -0.965633 0.663732
C 2.070170 -0.681029 0.292276
C 5.761976 1.508026 -1.007418
C 7.036156 -0.034843 0.397932
C 0.935817 -1.456494 0.735857
C 7.004764 1.066217 -0.489048
H -2.511504 0.717679 -1.893408
H -4.734552 -0.662217 1.574694
H -3.454939 3.032756 -1.590184
H -5.689162 1.642265 1.895236
H -1.274961 -2.790318 1.126690
H 3.616578 1.215750 -1.060835
H 5.869315 -1.538678 1.448736
H 3.526018 -1.816693 1.343580
H -4.918902 4.531782 -0.285264
H -5.808172 3.976643 1.106911
H 5.731316 2.359223 -1.697003
H 7.991654 -0.385395 0.803761
H 1.835636 0.158061 -0.373757
H 1.118253 -2.315146 1.412588
H 7.933082 1.573019 -0.774587


