%chk=000235596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235596

0 1
S -3.702645 2.525966 -0.127993
O 0.545878 -2.769463 0.044827
O -3.549605 2.997467 1.483883
O -2.996269 3.556612 -0.842093
O -5.102326 2.296749 -0.355572
O 1.074231 2.059017 0.401656
N 0.691664 -0.158056 -0.117187
N 7.099855 -0.168779 0.040528
C -1.434688 -1.426638 -0.054194
C -2.859033 -1.408096 -0.064946
C -0.729062 -0.163893 -0.089223
C -2.851790 1.016417 -0.107408
C -3.556260 -0.160166 -0.087640
C -1.442805 1.030742 -0.115041
C -0.833038 -2.732915 -0.000431
C -3.607597 -2.629458 -0.049275
C -1.555503 -3.907389 0.015792
C -2.973157 -3.844395 -0.012724
C 1.526755 0.954102 0.178696
C 2.977405 0.626639 0.156266
C 3.839840 1.478742 -0.557216
C 3.503413 -0.462148 0.868889
C 5.206820 1.236750 -0.584170
C 4.869441 -0.717014 0.861829
C 5.733232 0.129135 0.124260
H -4.652809 -0.168850 -0.089929
H -0.907185 1.994367 -0.145814
H -4.695981 -2.569606 -0.066282
H 1.154977 -1.051969 -0.341898
H -1.066228 -4.875861 0.054311
H -3.539383 -4.776566 -0.002029
H 3.424323 2.340235 -1.088506
H 2.837973 -1.108637 1.445842
H 0.898390 -3.694028 0.035781
H 5.865050 1.892316 -1.148132
H 5.269763 -1.561284 1.415342
H -3.242398 3.907579 1.626742
H 7.499220 -0.787671 0.727658
H 7.728831 0.552047 -0.276199


%chk=000235596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235596

0 1
S -3.798210 2.602602 -0.197799
O 0.583843 -2.802993 0.046083
O -3.537577 3.099321 1.574905
O -3.043413 3.695215 -1.122347
O -5.366792 2.284151 -0.432796
O 1.159141 2.119386 -0.256888
N 0.683385 -0.179128 -0.068109
N 7.209562 -0.078742 0.252315
C -1.448417 -1.433152 0.010138
C -2.902496 -1.417610 0.025886
C -0.724232 -0.166505 -0.064071
C -2.851144 0.984352 -0.097431
C -3.606199 -0.172768 -0.022470
C -1.445632 1.046044 -0.123855
C -0.833552 -2.735550 0.061048
C -3.649646 -2.639978 0.090619
C -1.577042 -3.918510 0.122832
C -2.999653 -3.870711 0.137681
C 1.560373 0.919638 -0.118653
C 3.013713 0.585299 -0.011427
C 3.942270 1.608749 -0.347595
C 3.529329 -0.664192 0.432443
C 5.324551 1.397610 -0.267819
C 4.912977 -0.887943 0.524412
C 5.838743 0.138563 0.168492
H -4.699860 -0.142884 -0.014256
H -0.899341 1.989085 -0.203527
H -4.742887 -2.584242 0.100355
H 1.097731 -1.119136 -0.044815
H -1.062252 -4.887230 0.161097
H -3.569955 -4.803293 0.186170
H 3.539580 2.575145 -0.668278
H 2.858133 -1.471267 0.750110
H 0.898454 -3.738524 0.025908
H 6.018929 2.202064 -0.538659
H 5.288801 -1.853673 0.883944
H -3.700870 4.086285 1.623751
H 7.580500 -0.969885 0.569422
H 7.868454 0.656406 0.011583


