%chk=000265876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265876

0 1
S 2.939754 1.510734 0.141269
O 3.263971 2.024519 1.462081
O 3.366887 2.225545 -1.049484
O -3.698689 1.398951 -1.064825
O -4.599617 -2.582799 0.544535
N -5.100791 -0.356974 0.487627
C 1.198262 1.336885 0.060317
C 3.507966 -0.126593 0.032765
C -1.575050 1.047581 -0.059205
C 0.459356 1.226649 1.239670
C 0.556035 1.335155 -1.177805
C -0.930124 1.076032 1.184540
C -0.834234 1.189796 -1.240781
C -3.061551 0.883133 -0.174101
C 3.809644 -0.678155 -1.215552
C 3.688585 -0.880670 1.195590
C -3.733476 0.018713 0.888756
C 4.265567 -1.996851 -1.305148
C 4.144293 -2.199676 1.109390
C 4.428925 -2.757478 -0.142010
C -5.398201 -1.711977 0.245690
C -6.764381 -1.965447 -0.319296
H 0.963328 1.272546 2.212154
H 1.130954 1.466440 -2.101344
H -1.497443 0.994043 2.110799
H -1.349311 1.199544 -2.205111
H 3.703463 -0.075669 -2.124137
H 3.487634 -0.437170 2.176559
H -3.776218 0.576811 1.854915
H -3.130242 -0.907943 1.089678
H 4.498984 -2.428215 -2.277457
H 4.283261 -2.788887 2.014626
H 4.784187 -3.786595 -0.210587
H -5.643105 0.388631 0.051602
H -6.960333 -3.050456 -0.356090
H -7.562615 -1.515467 0.286730
H -6.866274 -1.586085 -1.345262


%chk=000265876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265876

0 1
S 2.898726 1.481406 0.510950
O 3.012809 1.733478 2.124659
O 3.326246 2.587079 -0.617841
O -3.532082 0.408704 -1.763896
O -6.050646 -1.361014 2.025083
N -5.291180 -0.548131 -0.002785
C 1.073108 1.054899 0.170437
C 3.864213 -0.109199 0.127193
C -1.613600 0.503967 -0.301041
C 0.300264 0.573355 1.238197
C 0.562814 1.305651 -1.113982
C -1.059936 0.291571 0.991553
C -0.796913 1.019287 -1.345043
C -3.051372 0.214001 -0.607592
C 4.365593 -0.273550 -1.173151
C 4.088740 -1.009732 1.179924
C -3.946229 -0.329418 0.507182
C 5.115890 -1.442945 -1.439336
C 4.841542 -2.172579 0.893245
C 5.345629 -2.388479 -0.411548
C -6.282771 -1.063408 0.811146
C -7.650342 -1.244122 0.162455
H 0.745598 0.453415 2.231200
H 1.205608 1.735682 -1.889000
H -1.679456 -0.085277 1.811355
H -1.253474 1.191045 -2.325008
H 4.200131 0.496538 -1.933978
H 3.715724 -0.792303 2.186332
H -3.959762 0.377690 1.362696
H -3.523687 -1.272483 0.911741
H 5.525764 -1.608173 -2.441030
H 5.040402 -2.899433 1.687508
H 5.930693 -3.289675 -0.624467
H -5.446871 -0.303947 -0.986220
H -8.392478 -0.637534 0.709806
H -7.671078 -0.958354 -0.903096
H -7.958215 -2.299408 0.257449


