%chk=000190719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190719

0 1
S 2.167887 -1.412146 1.837147
O -1.524119 -1.455518 -0.926646
N -2.536763 0.623931 -1.183290
N -0.252218 0.469305 -0.555287
N 0.639384 -0.995096 1.128854
C -4.630505 -0.154289 0.001719
C -3.882159 0.000117 -1.328771
C -5.148068 1.178944 0.555262
C 2.209632 0.362084 -0.043885
C -5.911645 0.983573 1.862896
C 0.815091 -0.095318 0.176286
C 3.086894 -0.303242 0.842790
C -1.466580 -0.250545 -0.851318
C 2.721054 1.286844 -0.962163
C 4.458545 -0.057848 0.842633
C 4.092506 1.536326 -0.967518
C 4.952899 0.871854 -0.072051
H -3.976353 -0.651202 0.748126
H -5.478562 -0.853892 -0.142360
H -4.455955 0.632923 -2.042181
H -3.759420 -1.001473 -1.809312
H -5.805233 1.667853 -0.190902
H -4.304351 1.876126 0.722070
H -2.558931 1.541282 -0.735359
H -5.279963 0.529034 2.635827
H -6.275075 1.939007 2.257716
H -6.782635 0.331260 1.730493
H -0.084798 1.380785 -0.978733
H 2.064427 1.795774 -1.664469
H 5.123225 -0.575560 1.531585
H 4.510230 2.251790 -1.674777
H 6.021259 1.088316 -0.099780


%chk=000190719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190719

0 1
S 2.307876 -1.237365 2.123758
O -1.563944 -1.442612 -0.549415
N -2.479573 0.675340 -0.949925
N -0.225938 0.511505 -0.347416
N 0.679948 -0.791658 1.433089
C -4.743684 -0.132630 -0.151640
C -3.798002 0.143792 -1.344190
C -5.142034 1.130508 0.644886
C 2.247783 0.374753 0.016110
C -6.131253 0.819982 1.789296
C 0.872273 0.008078 0.370386
C 3.186561 -0.218141 0.911536
C -1.448191 -0.191109 -0.592157
C 2.715467 1.182084 -1.052921
C 4.574949 -0.007899 0.771231
C 4.098134 1.400728 -1.196256
C 5.020882 0.812720 -0.286072
H -4.257916 -0.867588 0.517973
H -5.659608 -0.617618 -0.547494
H -4.262484 0.865069 -2.044388
H -3.614486 -0.797218 -1.890888
H -5.595901 1.873488 -0.044447
H -4.233994 1.603784 1.071832
H -2.410591 1.663100 -0.700708
H -5.691642 0.100782 2.505210
H -6.403038 1.733252 2.349822
H -7.063749 0.373446 1.395638
H -0.096617 1.412426 -0.810944
H 2.013131 1.615532 -1.775153
H 5.291039 -0.467374 1.459681
H 4.470278 2.019700 -2.019222
H 6.094025 0.992142 -0.412612


