%chk=000189435.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189435

0 1
S 0.062894 -4.267142 -0.192829
F 3.395014 0.768139 2.927194
F 1.542858 -0.025538 2.326629
F 3.330947 -1.074218 1.900100
F -6.454712 1.866227 -0.100530
N -0.358036 0.262206 -0.342684
C 2.022928 0.654125 -0.485999
C 0.880740 -0.295643 -0.377236
C 2.937143 0.864266 0.562282
C -1.439518 -0.569846 -0.254944
C 1.099447 -1.686566 -0.350248
C -2.770204 0.079073 -0.219116
C -0.016752 -2.516564 -0.246731
C 2.180656 1.348554 -1.696234
C -1.303601 -1.970434 -0.193898
C 4.017353 1.741533 0.373810
C 2.796231 0.162131 1.885891
C 3.250905 2.227144 -1.870735
C 4.173800 2.418144 -0.837397
C -2.958327 1.249282 0.538628
C -3.839948 -0.469327 -0.947621
C -4.210632 1.864220 0.588568
C -5.099318 0.132040 -0.914531
C -5.253703 1.286874 -0.141258
C 1.808006 -4.680268 -0.027362
H 2.111062 -2.079709 -0.410556
H 1.451116 1.204532 -2.496104
H -2.184916 -2.603243 -0.090537
H 4.746890 1.906014 1.169890
H 3.365450 2.765212 -2.812621
H 5.013891 3.099016 -0.973751
H -2.114949 1.680350 1.086049
H -3.688345 -1.365258 -1.551485
H -4.363469 2.768146 1.176704
H -5.932045 -0.287164 -1.476943
H 2.267868 -4.207482 0.850285
H 2.387782 -4.416001 -0.919188
H 1.873396 -5.770426 0.108208


%chk=000189435-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189435

0 1
S 0.038503 -4.377519 -0.037171
F 4.379774 0.060602 2.535354
F 2.236359 -0.628280 2.398731
F 3.844667 -1.636277 1.147245
F -6.574752 2.032826 -0.532389
N -0.413690 0.245818 -0.281825
C 1.967408 0.678291 -0.276068
C 0.834668 -0.304744 -0.209102
C 3.157975 0.643071 0.514391
C -1.506634 -0.586173 -0.271071
C 1.052094 -1.704670 -0.169245
C -2.841939 0.075336 -0.348292
C -0.070876 -2.561417 -0.134627
C 1.833785 1.729181 -1.222003
C -1.366706 -1.993474 -0.173922
C 4.179881 1.606118 0.313410
C 3.383789 -0.355901 1.620591
C 2.848992 2.685315 -1.418136
C 4.035934 2.618109 -0.654875
C -2.941774 1.472720 -0.102442
C -4.024838 -0.645783 -0.667942
C -4.183284 2.136000 -0.159515
C -5.276559 0.000164 -0.732169
C -5.327007 1.380454 -0.472144
C 1.886079 -4.666024 0.148540
H 2.068604 -2.098087 -0.172205
H 0.905547 1.772509 -1.798588
H -2.246496 -2.639697 -0.110062
H 5.077109 1.572237 0.937296
H 2.715362 3.477668 -2.162270
H 4.834733 3.352457 -0.798941
H -2.024683 2.019316 0.133274
H -3.981091 -1.716094 -0.892764
H -4.271357 3.208765 0.034939
H -6.191478 -0.543916 -0.983144
H 2.275211 -4.128682 1.026548
H 2.422424 -4.366663 -0.764833
H 1.992166 -5.751162 0.299126


