%chk=000187941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187941

0 1
Cl -5.651023 -0.244341 -0.428355
S 0.728492 -2.603311 -1.127775
S 0.492065 2.441667 0.952918
N 2.435229 -0.644718 -0.364431
N 2.365112 0.573008 0.378880
N 0.265644 -0.089394 -0.106655
C 3.656318 -1.477544 -0.171549
C 3.555521 1.467701 0.311075
C 4.896652 -0.585359 -0.324484
C 4.817410 0.639816 0.594019
C 1.130145 -1.145044 -0.511917
C 1.027911 1.006583 0.385959
C -1.180299 -0.127232 -0.183454
C -1.929772 0.150644 0.969275
C -1.789840 -0.440840 -1.408236
C -3.329512 0.122144 0.903398
C -3.184211 -0.479177 -1.472296
C -3.931317 -0.197816 -0.327592
C -4.167855 0.418318 2.097460
H 3.634761 -2.279958 -0.949780
H 3.639701 -1.976879 0.824425
H 3.412503 2.265978 1.080630
H 3.616602 1.968088 -0.682649
H 5.002726 -0.262121 -1.380869
H 5.803692 -1.179536 -0.096316
H 4.829967 0.319633 1.656543
H 5.711546 1.280310 0.459355
H -1.433761 0.397676 1.909878
H -1.193514 -0.660634 -2.295063
H -3.683434 -0.726607 -2.410744
H -4.834341 1.276597 1.911928
H -4.816111 -0.435416 2.352462
H -3.574211 0.657166 2.989662


%chk=000187941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187941

0 1
Cl -5.747220 -0.260624 -0.479538
S 0.746347 -2.719552 -1.070521
S 0.489522 2.538802 0.899628
N 2.427420 -0.674287 -0.311343
N 2.356499 0.592941 0.338490
N 0.291336 -0.099935 -0.102351
C 3.660948 -1.474730 -0.218032
C 3.544533 1.465141 0.366551
C 4.892899 -0.560489 -0.363561
C 4.810310 0.624548 0.628163
C 1.145281 -1.162140 -0.513698
C 1.033993 1.006929 0.397448
C -1.145706 -0.140000 -0.189623
C -1.921925 0.155256 0.951831
C -1.760801 -0.474577 -1.415207
C -3.337477 0.134133 0.902447
C -3.167944 -0.512315 -1.488158
C -3.923375 -0.207886 -0.340806
C -4.164843 0.461156 2.126882
H 3.597507 -2.235271 -1.013488
H 3.678422 -2.004799 0.756524
H 3.359798 2.215103 1.153084
H 3.623697 2.002928 -0.600756
H 4.955104 -0.179575 -1.400969
H 5.800200 -1.161436 -0.176209
H 4.797799 0.244570 1.667804
H 5.693022 1.280288 0.526238
H -1.425341 0.417482 1.890207
H -1.154651 -0.712771 -2.292355
H -3.668383 -0.771371 -2.424896
H -4.830603 1.322989 1.937904
H -4.815660 -0.386710 2.408863
H -3.517913 0.705606 2.985147


