%chk=000203304.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203304

0 1
S -1.291383 0.297573 -0.836524
N -0.466771 1.986209 1.063178
N 1.239083 0.795177 -0.269216
C -0.937936 4.176684 -0.140917
C -0.131426 3.432100 0.934729
C -2.399098 4.404123 0.267081
C 3.551166 0.251095 0.325404
C 2.450264 1.325827 0.381503
C 3.288700 -0.895415 1.309478
C 0.041389 1.120594 0.046668
C -3.165067 5.182795 -0.799753
C 4.403556 -1.936759 1.278539
C -0.561767 -1.185453 -1.594500
C -0.785030 -2.334845 -0.670981
C -1.923430 -3.145372 -0.811396
C 0.143136 -2.614892 0.344564
C -2.126900 -4.222373 0.055411
C -0.066099 -3.692046 1.207627
C -1.199992 -4.499032 1.065065
H -0.453258 5.151260 -0.347032
H -0.897433 3.621606 -1.100073
H 0.955352 3.542260 0.728688
H -0.304390 3.887172 1.937619
H -2.442657 4.948690 1.230769
H -2.899483 3.431315 0.443640
H 4.527668 0.723821 0.541803
H 3.625197 -0.151243 -0.705541
H 2.786770 2.229601 -0.177141
H 2.275782 1.639037 1.435718
H 2.312894 -1.377855 1.056333
H 3.169574 -0.498439 2.335600
H -1.466700 1.853517 1.267030
H -3.173511 4.650923 -1.758825
H -4.209090 5.337172 -0.503880
H -2.724998 6.170544 -0.976895
H 5.371803 -1.502275 1.551029
H 4.201480 -2.753673 1.980296
H 4.512386 -2.381142 0.282306
H -1.050597 -1.320391 -2.579806
H 0.519856 -1.018565 -1.804620
H -2.652458 -2.934068 -1.590629
H 1.033699 -1.980322 0.466343
H -3.011448 -4.846827 -0.056298
H 0.655759 -3.903309 1.994642
H -1.360596 -5.337798 1.738265


%chk=000203304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203304

0 1
S -1.828964 0.131823 -0.214741
N -0.850822 2.052315 1.399034
N 0.814700 0.888189 0.026028
C -0.547448 4.285761 0.226535
C -0.347261 3.442823 1.510951
C -2.026408 4.450187 -0.189420
C 3.282149 0.695768 0.131247
C 2.042150 1.492933 0.584547
C 3.332080 -0.736387 0.706036
C -0.379299 1.126637 0.462225
C -2.191910 5.322356 -1.452509
C 4.570718 -1.527972 0.235718
C -0.883480 -1.326246 -0.998833
C -1.020610 -2.618854 -0.231592
C -1.794426 -3.689106 -0.748583
C -0.364166 -2.793309 1.016301
C -1.911572 -4.906562 -0.038972
C -0.479270 -4.006769 1.726394
C -1.254029 -5.069525 1.201405
H -0.094670 5.284480 0.396624
H 0.017871 3.818537 -0.605228
H 0.721311 3.433411 1.786535
H -0.891229 3.908900 2.354118
H -2.596000 4.900689 0.650193
H -2.466530 3.450534 -0.374959
H 4.193194 1.249966 0.439598
H 3.285834 0.650470 -0.975612
H 2.144285 2.544382 0.234656
H 2.005612 1.521617 1.697876
H 2.410202 -1.270975 0.406639
H 3.322234 -0.683550 1.815002
H -1.812398 1.897750 1.714157
H -1.656631 4.876088 -2.311442
H -3.255540 5.424998 -1.734889
H -1.783897 6.338570 -1.292736
H 5.507478 -1.022907 0.540104
H 4.582911 -2.548595 0.660455
H 4.583793 -1.621799 -0.866646
H -1.269332 -1.405750 -2.027064
H 0.153833 -0.934618 -1.017953
H -2.307647 -3.567585 -1.710712
H 0.229621 -1.967882 1.426839
H -2.513517 -5.723902 -0.452469
H 0.034617 -4.127886 2.687009
H -1.343541 -6.012002 1.753437


