%chk=000207102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207102

0 1
S 5.264412 1.750307 -0.490304
S 5.566872 -1.140673 -1.065242
N 0.713117 -0.362522 0.422371
N 3.590899 -0.121772 0.402532
C 1.371531 0.973698 0.247927
C 1.567079 -1.439854 -0.180102
C 2.735224 0.959819 0.969266
C 2.937868 -1.460789 0.523861
C -0.662271 -0.375470 -0.174954
C -1.632933 0.343169 0.781688
C -3.046258 0.211840 0.285165
C 4.692284 0.069138 -0.340315
C -3.573747 1.159878 -0.604992
C -3.844016 -0.864452 0.703025
C -4.886133 1.032439 -1.067894
C -5.155663 -0.987003 0.237213
C -5.679698 -0.039920 -0.648461
H 0.720931 1.746046 0.715341
H 1.505174 1.262705 -0.817590
H 1.705951 -1.329323 -1.278134
H 1.063419 -2.417815 -0.011628
H 3.210245 1.961470 0.911694
H 2.589199 0.744098 2.056452
H 2.817529 -1.685779 1.609348
H 3.577967 -2.267847 0.093944
H -0.708534 0.084508 -1.185214
H -0.991203 -1.432416 -0.294869
H -1.352907 1.409841 0.890736
H -1.528253 -0.083722 1.802416
H -2.962630 1.996653 -0.935606
H -3.441999 -1.604595 1.392165
H -5.291642 1.771394 -1.757219
H -5.771456 -1.822798 0.565889
H 6.397270 1.499610 -1.198259
H -6.701326 -0.136761 -1.009249


%chk=000207102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207102

0 1
S 5.432235 1.806022 -0.275313
S 5.776980 -1.192667 -0.991677
N 0.719248 -0.366060 0.393267
N 3.603250 -0.125083 0.304880
C 1.367797 0.959463 0.256351
C 1.558249 -1.415154 -0.242199
C 2.768272 0.946452 0.903129
C 2.955205 -1.458517 0.402238
C -0.679521 -0.390119 -0.103582
C -1.664059 0.386849 0.810958
C -3.098560 0.243556 0.323263
C 4.825758 0.040423 -0.287252
C -3.636291 1.148722 -0.628060
C -3.915071 -0.826194 0.773411
C -4.952905 0.991708 -1.117153
C -5.232391 -0.987915 0.287902
C -5.756058 -0.079097 -0.660973
H 0.758459 1.722347 0.771775
H 1.465325 1.264789 -0.816922
H 1.672372 -1.250044 -1.342906
H 1.070893 -2.396391 -0.095627
H 3.249061 1.928043 0.772317
H 2.668228 0.745211 1.987429
H 2.862277 -1.720733 1.473971
H 3.604131 -2.193528 -0.099505
H -0.758455 0.005650 -1.147963
H -1.003266 -1.447543 -0.139370
H -1.386971 1.457644 0.837151
H -1.553078 -0.007365 1.837791
H -3.021723 1.986501 -0.981678
H -3.517867 -1.531268 1.514741
H -5.352814 1.703505 -1.848398
H -5.850596 -1.816669 0.651602
H 6.596494 1.471663 -0.936411
H -6.778306 -0.201099 -1.036186


