%chk=000213310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213310

0 1
S 2.057433 2.600152 -0.108798
O -1.355375 1.712690 -0.542374
O -0.258432 0.904024 1.268541
N -5.365255 -0.948324 0.275311
C 3.238359 1.356543 0.634218
C 2.925267 0.099097 -0.143794
C 0.929317 1.369934 -0.839817
C 1.729589 0.104946 -0.895404
C 2.892022 1.205822 2.102615
C 4.633797 1.896935 0.391069
C 3.732289 -1.038412 -0.139644
C 1.350012 -1.012846 -1.637985
C -0.232039 1.270624 0.120719
C 3.351393 -2.161530 -0.886520
C 2.169512 -2.149238 -1.630739
C -2.624333 1.721854 0.182783
C -3.314276 0.383077 -0.050518
C -4.747600 0.400085 0.504956
C -5.850718 -1.084568 -1.130225
C -6.488034 -1.179575 1.232816
H 0.593723 1.711769 -1.850810
H 1.836589 0.901452 2.242503
H 3.509512 0.439503 2.586853
H 3.025881 2.139890 2.661453
H 5.397330 1.243884 0.834504
H 4.863199 1.982140 -0.680802
H 4.774278 2.892897 0.832821
H 4.652491 -1.056738 0.441489
H 0.426504 -1.006477 -2.214419
H 3.982410 -3.049199 -0.883390
H 1.879269 -3.026360 -2.207409
H -2.433384 1.927614 1.251306
H -3.143654 2.573036 -0.291984
H -2.738132 -0.436975 0.429998
H -3.313695 0.140040 -1.131612
H -5.330350 1.229762 0.051873
H -4.711750 0.596785 1.599488
H -6.205274 -2.116550 -1.283989
H -6.659554 -0.395046 -1.411692
H -5.006414 -0.927821 -1.820984
H -6.089558 -1.166981 2.260410
H -7.313174 -0.456252 1.167854
H -6.899374 -2.188065 1.063830


%chk=000213310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213310

0 1
S 2.018954 2.669001 -0.129122
O -1.390673 1.702661 -0.546704
O -0.324742 0.473699 1.132789
N -5.588346 -0.902318 0.283462
C 3.303972 1.419243 0.625349
C 3.047971 0.130705 -0.158081
C 0.941877 1.272139 -0.853388
C 1.845356 0.051440 -0.900392
C 3.011782 1.224261 2.132829
C 4.707973 2.014364 0.387211
C 3.927748 -0.976057 -0.138635
C 1.522256 -1.118420 -1.622938
C -0.285414 1.075979 0.036672
C 3.610183 -2.146060 -0.864964
C 2.408343 -2.218704 -1.607894
C -2.673386 1.634726 0.218601
C -3.467127 0.383243 -0.179428
C -4.833517 0.346480 0.540088
C -6.047316 -1.032068 -1.114353
C -6.701969 -1.074924 1.240124
H 0.611388 1.600350 -1.851500
H 1.989848 0.840203 2.287486
H 3.729666 0.499122 2.564491
H 3.117514 2.181185 2.674161
H 5.481102 1.353053 0.823041
H 4.913482 2.135702 -0.689323
H 4.801325 3.000442 0.876961
H 4.860926 -0.927905 0.434107
H 0.588390 -1.171314 -2.194774
H 4.298314 -2.998652 -0.853873
H 2.166359 -3.125613 -2.172688
H -2.439649 1.635886 1.298559
H -3.197017 2.563879 -0.062281
H -2.900095 -0.524087 0.094947
H -3.599879 0.384902 -1.277031
H -5.430536 1.255715 0.255363
H -4.659375 0.407163 1.632455
H -6.582663 -1.990478 -1.235220
H -6.738564 -0.207006 -1.428172
H -5.187451 -1.040906 -1.805002
H -6.310344 -1.066912 2.272929
H -7.487138 -0.279380 1.160225
H -7.189724 -2.051142 1.068414


