%chk=000206323.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206323

0 1
S -0.417050 -2.170341 0.013634
F -5.736930 -1.986457 0.016623
O 5.981262 -0.588019 -1.087056
O 5.983211 -0.570132 1.076950
N -0.203810 0.428962 -0.007839
N -1.984729 2.040907 -0.019261
N 5.425835 -0.496722 -0.005232
C -2.502677 -0.368445 0.000728
C 1.233971 0.160420 -0.006878
C -0.698627 1.780047 -0.018343
C -1.079746 -0.670291 0.001934
C -2.922528 0.988329 -0.009838
C -3.472026 -1.396451 0.009870
C 1.906748 0.044289 -1.234081
C 1.908963 0.064560 1.220854
C 0.305656 2.878232 -0.028098
C -4.301411 1.321341 -0.011205
C 3.282535 -0.179198 -1.230990
C 3.284743 -0.158965 1.218971
C -4.808303 -1.028692 0.008122
C 3.962712 -0.269522 -0.005794
C -5.248364 0.313755 -0.002232
H -3.162701 -2.448539 0.018051
H 1.358317 0.097097 -2.176649
H 1.362224 0.132934 2.163405
H 0.954149 2.856251 0.862477
H -0.189479 3.868866 -0.036611
H 0.953937 2.840799 -0.918297
H -4.590869 2.375325 -0.019374
H 3.836755 -0.287573 -2.171607
H 3.840668 -0.251801 2.160244
H -6.315736 0.545435 -0.003079


%chk=000206323-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206323

0 1
S -0.466031 -2.316287 0.013157
F -5.841178 -2.004316 0.016520
O 6.042805 -0.540498 -1.146630
O 6.044841 -0.520433 1.136347
N -0.218614 0.402139 -0.007823
N -1.971940 2.048558 -0.018955
N 5.446346 -0.447589 -0.005337
C -2.515042 -0.378470 0.000523
C 1.219721 0.147183 -0.006895
C -0.685049 1.745460 -0.017928
C -1.087176 -0.719317 0.001672
C -2.909832 1.003193 -0.009685
C -3.509932 -1.392984 0.009368
C 1.906336 0.039722 -1.237490
C 1.908432 0.061108 1.224217
C 0.333625 2.858224 -0.028017
C -4.291263 1.345205 -0.010719
C 3.299545 -0.158603 -1.243510
C 3.301653 -0.137098 1.231306
C -4.849824 -1.008052 0.007917
C 3.974041 -0.241299 -0.005856
C -5.271622 0.343902 -0.001923
H -3.211414 -2.445540 0.017096
H 1.347071 0.091002 -2.176463
H 1.350880 0.128756 2.163180
H 0.989286 2.825465 0.860161
H -0.214131 3.811035 -0.035832
H 0.988339 2.810276 -0.916204
H -4.557823 2.405464 -0.018601
H 3.865149 -0.253794 -2.173552
H 3.868846 -0.216125 2.161902
H -6.339345 0.580115 -0.002547


