%chk=000217628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217628

0 1
S -2.123901 0.204784 -0.078267
P 1.625014 -0.268828 0.085185
O 0.429778 0.369491 -0.879886
O 2.864000 0.758252 -0.092211
O 1.000713 0.222830 1.533904
O 1.922640 -1.686132 -0.128004
N -4.444255 0.508957 1.166927
N -4.022423 -1.645752 0.096253
C -0.239238 -0.539057 -1.783383
C -1.428323 -1.154325 -1.067944
C 2.579237 2.175853 0.173215
C 3.874140 2.860562 -0.215333
C -3.703107 -0.454347 0.456278
H -0.542230 0.137827 -2.611371
H 0.450798 -1.315150 -2.177516
H -1.160780 -2.011955 -0.417092
H -2.183791 -1.556624 -1.776872
H 1.725147 2.501434 -0.451208
H 2.347674 2.287950 1.250708
H 3.841436 3.935125 -0.005721
H 4.725465 2.429625 0.332707
H 4.094471 2.723293 -1.283016
H 0.019509 0.129113 1.661051
H -5.177965 0.184679 1.780674
H -3.981177 1.339332 1.507956
H -4.910931 -2.058638 0.359668


%chk=000217628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217628

0 1
S -2.374163 0.386385 -0.189204
P 1.389875 -0.114252 0.024649
O 0.497774 0.504584 -1.351054
O 2.842086 0.767535 -0.007395
O 0.552358 0.638488 1.327953
O 1.570493 -1.686423 0.047290
N -4.385140 0.098081 1.578155
N -3.929475 -1.843263 0.167989
C -0.428945 -0.407106 -2.068747
C -1.519350 -0.998555 -1.173705
C 2.820946 2.267385 0.021525
C 4.283071 2.696685 0.063612
C -3.727857 -0.633649 0.596297
H -0.845896 0.236052 -2.860488
H 0.142892 -1.237614 -2.524767
H -1.117877 -1.724020 -0.448592
H -2.307300 -1.494748 -1.761969
H 2.307114 2.626751 -0.889264
H 2.260872 2.592853 0.916339
H 4.347025 3.800753 0.081654
H 4.778330 2.300597 0.965828
H 4.824057 2.327630 -0.823772
H -0.446555 0.617016 1.205286
H -5.190430 -0.299347 2.058363
H -4.077463 1.032317 1.843326
H -4.684542 -2.375836 0.637392


