%chk=000207034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207034

0 1
S -6.489130 1.544234 0.818389
S 6.488932 -1.540774 -0.826018
S -6.789623 -1.363921 0.332738
S 6.789784 1.367901 -0.343716
N -1.843303 -0.198819 -0.336435
N 1.843268 0.204163 0.326774
N -4.712602 0.071708 -0.514371
N 4.712546 -0.066478 0.504971
C -0.531099 -0.433611 0.348527
C 0.531146 0.438368 -0.358529
C -2.537963 1.008098 0.221742
C -2.733239 -1.402468 -0.231087
C 2.537785 -1.003457 -0.230030
C 2.733348 1.407580 0.219992
C -3.825334 1.267403 -0.588175
C -4.028134 -1.152904 -1.029012
C 3.825137 -1.261980 0.580163
C 4.028224 1.158810 1.018189
C -5.878250 0.009904 0.150071
C 5.878220 -0.005591 -0.159505
H -0.546466 -0.207268 1.436740
H -0.248981 -1.505180 0.264072
H 0.546821 0.211736 -1.446670
H 0.248806 1.509912 -0.274405
H -1.858411 1.882253 0.115998
H -2.779577 0.914561 1.303580
H -2.981310 -1.675403 0.818420
H -2.199487 -2.270521 -0.677647
H 2.779383 -0.911178 -1.311978
H 1.858137 -1.877412 -0.123270
H 2.199706 2.276225 0.665528
H 2.981431 1.679245 -0.829841
H -4.321005 2.195748 -0.234236
H -3.572634 1.438378 -1.663564
H -3.799020 -0.989397 -2.107927
H -4.693301 -2.047604 -0.971040
H 3.572432 -1.431691 1.655751
H 4.320692 -2.190790 0.227280
H 4.693490 2.053368 0.959156
H 3.799108 0.996594 2.097299
H -7.675825 1.082179 1.293746
H 7.675699 -1.079417 -1.301872


%chk=000207034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207034

0 1
S -6.655517 1.678788 0.653932
S 6.656676 -1.676794 -0.650607
S -7.050988 -1.357514 0.156432
S 7.050498 1.362605 -0.170917
N -1.875900 -0.242230 -0.283454
N 1.875526 0.247536 0.271599
N -4.754583 0.041209 -0.401843
N 4.754325 -0.033788 0.394087
C -0.526824 -0.480899 0.287596
C 0.527165 0.482650 -0.302578
C -2.547936 0.955105 0.276759
C -2.766973 -1.425565 -0.174840
C 2.548612 -0.952968 -0.280603
C 2.766241 1.430573 0.156677
C -3.870539 1.230730 -0.467480
C -4.088722 -1.180193 -0.923991
C 3.870796 -1.223276 0.466322
C 4.087476 1.190386 0.908388
C -6.038540 0.015487 0.072306
C 6.038579 -0.010310 -0.079363
H -0.509010 -0.390721 1.400510
H -0.246043 -1.522886 0.044435
H 0.511664 0.390086 -1.415343
H 0.244326 1.524742 -0.062252
H -1.894012 1.837130 0.157500
H -2.763200 0.835414 1.368839
H -2.997013 -1.681807 0.889398
H -2.261852 -2.295570 -0.632709
H 2.764602 -0.840081 -1.373271
H 1.895119 -1.834590 -0.156156
H 2.260324 2.303098 0.608838
H 2.997067 1.680509 -0.908893
H -4.369768 2.106925 -0.026356
H -3.653846 1.447904 -1.531470
H -3.883362 -1.028470 -2.001550
H -4.781142 -2.028049 -0.800935
H 3.653389 -1.434014 1.531459
H 4.370767 -2.101925 0.030965
H 4.779557 2.037845 0.780779
H 3.881343 1.045042 1.986678
H -7.884619 1.164761 1.013034
H 7.885741 -1.164369 -1.012123


