%chk=000209391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209391

0 1
S 0.597471 -0.970481 -0.962359
O -1.892058 1.429939 -2.154101
N -2.790700 0.931570 -0.117121
N -4.022827 -1.558152 0.713702
C -4.055550 0.454319 -0.743968
C -2.605312 0.404604 1.259375
C -4.152019 -1.084154 -0.704960
C -2.700897 -1.135726 1.285764
C -1.719249 1.276106 -0.956407
C -0.409086 1.575969 -0.285755
C -4.162056 -3.043605 0.777446
C 0.624853 0.648650 -0.276457
C 1.877205 0.935250 0.321506
C 2.809089 -0.189735 0.227188
C -0.187418 2.829993 0.301616
C 2.246716 -1.303418 -0.442470
C 2.084372 2.187922 0.906898
C 1.048416 3.128044 0.889815
C 4.121455 -0.273528 0.703444
C 2.953153 -2.480936 -0.645307
C 4.840627 -1.456360 0.505013
C 4.265125 -2.548113 -0.160988
H -4.109562 0.816921 -1.797242
H -4.903562 0.909687 -0.184556
H -3.410520 0.842565 1.896170
H -1.635383 0.736432 1.684996
H -5.149999 -1.396166 -1.081804
H -3.394333 -1.528306 -1.386190
H -1.831110 -1.582590 0.757214
H -2.654673 -1.486091 2.339461
H -3.405704 -3.607647 0.212000
H -5.158646 -3.325579 0.400399
H -4.117375 -3.362793 1.831288
H -0.982672 3.577139 0.293250
H 3.041027 2.429535 1.366834
H 1.204730 4.109472 1.337596
H 4.576199 0.569740 1.218846
H 2.508217 -3.327170 -1.165587
H 5.863966 -1.531136 0.871611
H 4.845893 -3.458571 -0.304958


%chk=000209391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209391

0 1
S 1.336274 -1.106808 -1.423134
O -1.318234 0.195726 -2.163561
N -2.670081 0.482525 -0.285126
N -4.792401 -1.155303 0.781198
C -3.889755 0.211932 -1.081307
C -2.891768 0.403602 1.176075
C -4.521257 -1.133979 -0.677828
C -3.541940 -0.948425 1.546395
C -1.435431 0.505832 -0.931005
C -0.226722 0.956624 -0.148658
C -5.518895 -2.368575 1.204385
C 1.021785 0.313372 -0.328066
C 2.194909 0.736379 0.371107
C 3.360172 -0.100515 0.084372
C -0.264093 2.094505 0.696861
C 3.066068 -1.145415 -0.842109
C 2.118875 1.866158 1.222776
C 0.896407 2.549877 1.368661
C 4.676897 0.006032 0.599690
C 4.046119 -2.067431 -1.260109
C 5.663766 -0.912673 0.192322
C 5.350486 -1.944870 -0.732543
H -3.603699 0.203687 -2.144888
H -4.617155 1.024946 -0.892786
H -3.568769 1.223306 1.487538
H -1.934658 0.508632 1.707970
H -5.477181 -1.263234 -1.218236
H -3.836699 -1.965157 -0.984738
H -2.799546 -1.768439 1.360964
H -3.780450 -0.945991 2.626574
H -4.943253 -3.312921 1.032742
H -6.470461 -2.442483 0.648330
H -5.756521 -2.303247 2.281351
H -1.206351 2.642168 0.808491
H 3.011222 2.210963 1.756696
H 0.838634 3.438513 2.005673
H 4.926134 0.800147 1.312578
H 3.807626 -2.860938 -1.975553
H 6.681031 -0.831698 0.590042
H 6.126721 -2.653225 -1.041941


