%chk=000118806.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118806

0 1
S 2.437327 -2.175505 -1.105644
S -2.419942 -2.236745 0.997975
N 3.770166 -1.142485 -1.329610
N -3.759717 -1.223226 1.265509
N -0.005619 2.125410 0.039231
N -1.128835 0.063206 0.472168
N 1.130784 0.091244 -0.482556
N 0.008125 -2.021846 -0.049902
C 4.688032 -0.908864 -0.167247
C -4.679176 -0.946291 0.114015
C 5.817164 0.002446 -0.696536
C 3.976781 -0.221617 1.009728
C 5.266610 -2.261547 0.276523
C -5.248702 -2.282580 -0.387372
C -3.972570 -0.204634 -1.032312
C -5.814365 -0.066041 0.681539
C 1.135208 2.907450 -0.514220
C -1.152431 2.875485 0.623589
C -0.001264 0.751517 0.009319
C 1.068982 -1.267191 -0.470445
C -1.057794 -1.293055 0.402206
C 2.262044 3.050037 0.505297
C -2.279232 3.053691 -0.390314
H 6.298330 -0.431594 -1.581822
H 6.595567 0.135340 0.062103
H 5.453326 0.997893 -0.967648
H 4.685081 0.055043 1.795674
H 3.447193 0.695687 0.696281
H 3.225744 -0.874880 1.470166
H 5.719474 -2.798229 -0.566238
H 6.036737 -2.130419 1.042387
H 4.496772 -2.919898 0.698890
H -5.697868 -2.857896 0.431554
H -6.019787 -2.123943 -1.147039
H -4.474526 -2.917085 -0.837398
H -4.682724 0.100791 -1.805856
H -3.217344 -0.832667 -1.520157
H -3.449026 0.701908 -0.679809
H -6.292547 -0.540745 1.547360
H -6.593729 0.093927 -0.070862
H -5.457180 0.919318 0.995046
H 3.576980 -0.298306 -1.876895
H -3.572057 -0.401932 1.848366
H 1.516163 2.399952 -1.433836
H 0.756369 3.905160 -0.828110
H -1.530790 2.326749 1.520332
H -0.780628 3.861476 0.980067
H 1.909590 3.446796 1.463235
H 2.729554 2.065602 0.711399
H 3.048749 3.715193 0.134348
H -1.928670 3.493321 -1.330054
H -2.739819 2.075778 -0.638685
H -3.070812 3.697100 0.007662


%chk=000118806-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118806

0 1
S 2.500524 -2.278959 -1.072180
S -2.490760 -2.333286 0.984993
N 3.773795 -0.989928 -1.253670
N -3.776212 -1.062400 1.201470
N -0.007258 2.036345 0.041109
N -1.147416 -0.004293 0.412399
N 1.144293 0.018396 -0.410107
N 0.004992 -2.096741 -0.038465
C 4.791347 -0.894711 -0.135725
C -4.782073 -0.931203 0.076589
C 5.642787 0.345318 -0.510891
C 4.164206 -0.713154 1.271901
C 5.664826 -2.169240 -0.173286
C -5.649503 -2.210202 0.057929
C -4.140400 -0.694941 -1.316302
C -5.643921 0.290368 0.487098
C 1.164469 2.814452 -0.426120
C -1.182858 2.789245 0.538877
C -0.003553 0.666532 0.013921
C 1.077546 -1.336280 -0.406879
C -1.072416 -1.357476 0.357373
C 2.140815 3.171511 0.714288
C -2.159211 3.189848 -0.587082
H 6.051937 0.234871 -1.530087
H 6.482358 0.456441 0.198418
H 5.039682 1.273423 -0.471887
H 4.956317 -0.616354 2.037061
H 3.529056 0.190115 1.307674
H 3.539092 -1.585002 1.537208
H 6.112630 -2.294214 -1.174212
H 6.473351 -2.104439 0.577387
H 5.060360 -3.066996 0.051482
H -6.106067 -2.374485 1.049170
H -6.451444 -2.121188 -0.697374
H -5.038597 -3.096174 -0.194327
H -4.924384 -0.566358 -2.085102
H -3.513501 -1.556372 -1.609861
H -3.503678 0.207866 -1.309049
H -6.064734 0.140530 1.496490
H -6.475274 0.423766 -0.227959
H -5.044770 1.221874 0.489633
H 3.259852 -0.095104 -1.372094
H -3.271832 -0.168723 1.361415
H 1.684199 2.222411 -1.196129
H 0.779969 3.734826 -0.904463
H -1.700997 2.163062 1.282399
H -0.802783 3.690308 1.055901
H 1.639834 3.751684 1.510434
H 2.559685 2.255614 1.164454
H 2.975963 3.781313 0.323401
H -1.659140 3.804058 -1.357877
H -2.574545 2.292043 -1.075401
H -2.996859 3.780300 -0.172542


