%chk=000218949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218949

0 1
S 1.257100 -2.661790 0.642788
O 3.741895 -0.243456 -0.907249
O -0.619572 1.572226 -0.080980
N 1.767650 0.038993 0.354359
N -0.498360 -0.724198 0.280397
C 3.231774 -0.132680 0.434606
C 3.819191 1.089795 1.170862
C 3.682922 2.362056 0.324850
C 3.684724 -1.469792 1.077355
C 4.283807 2.145421 -1.069095
C 3.616952 0.941509 -1.734180
C 3.062775 -2.667951 0.386691
C 0.899211 -0.893690 0.387751
C -1.178572 0.512065 0.037935
C -2.661730 0.308590 -0.036397
C -3.478783 0.915203 0.926897
C -3.231262 -0.434242 -1.078601
C -5.442982 0.015790 -0.182245
C -4.863907 0.764733 0.856380
C -4.616673 -0.579813 -1.151000
C -6.926028 -0.129936 -0.267046
H 4.885528 0.899640 1.395002
H 3.305499 1.227829 2.141634
H 4.174906 3.210447 0.832299
H 2.606416 2.628505 0.234239
H 3.457277 -1.460713 2.161606
H 4.791609 -1.536558 0.996611
H 4.147878 3.047688 -1.693091
H 5.375187 1.979648 -0.991552
H 2.542877 1.116005 -1.927551
H 4.129709 0.616580 -2.655745
H 3.278569 -2.647533 -0.704087
H 3.444321 -3.624694 0.789907
H -1.074808 -1.569099 0.390285
H -3.030748 1.508232 1.726450
H -2.594689 -0.890736 -1.837922
H -5.496928 1.235973 1.606398
H -5.057905 -1.153462 -1.964185
H -7.363156 0.692392 -0.855208
H -7.230092 -1.068062 -0.751116
H -7.407285 -0.109317 0.720444


%chk=000218949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218949

0 1
S 1.365771 -2.885853 0.757865
O 3.872058 -0.157873 -1.048811
O -0.591353 1.426882 0.796749
N 1.831483 -0.119425 0.208497
N -0.407358 -0.883025 0.328312
C 3.302644 -0.215096 0.321047
C 3.781420 1.006326 1.145560
C 3.449346 2.334321 0.429112
C 3.844553 -1.541436 0.894497
C 4.035752 2.331253 -1.003128
C 3.541835 1.094663 -1.773207
C 3.194534 -2.776532 0.257971
C 0.990681 -1.069613 0.388834
C -1.121658 0.334442 0.461214
C -2.601216 0.207675 0.199881
C -3.452276 1.192708 0.763388
C -3.177299 -0.813047 -0.601130
C -5.429723 0.119455 -0.239028
C -4.842955 1.143274 0.552392
C -4.571532 -0.853398 -0.813508
C -6.925696 0.089375 -0.491855
H 4.876845 0.910523 1.284089
H 3.304021 0.975302 2.142770
H 3.852996 3.184773 1.009656
H 2.350614 2.447858 0.383217
H 3.705715 -1.559263 1.991261
H 4.929321 -1.558354 0.682922
H 3.732400 3.244953 -1.550687
H 5.143067 2.318514 -0.958659
H 2.446604 1.147401 -1.926860
H 4.047595 0.979936 -2.746796
H 3.247222 -2.729664 -0.841028
H 3.643161 -3.714716 0.619599
H -0.961987 -1.737673 0.237555
H -2.996549 1.989432 1.360398
H -2.548108 -1.558866 -1.102673
H -5.486048 1.907437 1.005165
H -4.998701 -1.644414 -1.441345
H -7.189883 0.717103 -1.365178
H -7.282813 -0.933597 -0.702577
H -7.490185 0.479840 0.373013


