%chk=000219330.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219330

0 1
S -0.968871 -0.023417 -2.477533
P -0.221653 -0.331587 -0.713927
N 1.094145 -1.487207 -0.781488
N -1.297963 -1.023171 0.498979
N 0.384727 1.102503 0.104107
C 2.138654 -1.363857 0.279839
C -2.753094 -0.875233 0.183836
C 0.339158 2.366261 -0.693088
C 3.049110 -2.604027 0.212763
C -3.563436 -1.370873 1.396183
C 1.050561 3.471506 0.109926
C 4.104806 -2.569649 1.312864
C -5.059645 -1.187912 1.163554
C 1.090960 4.776886 -0.678013
H 1.522951 -1.602078 -1.722275
H -1.077069 -2.008838 0.750847
H -0.003242 1.249546 1.058032
H 2.752105 -0.438390 0.180249
H 1.652274 -1.314810 1.281072
H -2.989081 0.198225 -0.003209
H -3.067449 -1.432002 -0.730550
H 0.869376 2.215846 -1.663563
H -0.695921 2.692749 -0.946198
H 2.434149 -3.522798 0.300347
H 3.538367 -2.666926 -0.778942
H -3.340648 -2.436948 1.596696
H -3.247975 -0.821298 2.306002
H 0.541206 3.631888 1.079740
H 2.080295 3.145229 0.360442
H 4.747397 -1.684886 1.233924
H 3.652240 -2.559848 2.311318
H 4.756045 -3.450463 1.260177
H -5.321661 -0.134415 1.009002
H -5.405818 -1.742840 0.283164
H -5.639027 -1.545141 2.022963
H 1.630121 4.662005 -1.626253
H 0.084409 5.139987 -0.917447
H 1.596697 5.565783 -0.109241


%chk=000219330-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219330

0 1
S -0.653375 0.172755 -3.025639
P -0.250379 -0.197446 -1.005085
N 1.237722 -1.115749 -0.852870
N -1.281088 -1.206863 -0.003735
N -0.296084 1.247231 -0.041521
C 2.017468 -1.171770 0.403266
C -2.732270 -0.916435 0.100425
C -0.090332 2.608437 -0.559335
C 2.939950 -2.408981 0.423087
C -3.347368 -1.644564 1.313023
C 1.311938 3.195021 -0.267670
C 3.790814 -2.478520 1.709538
C -4.864428 -1.384222 1.434598
C 1.450507 4.637641 -0.800072
H 1.780603 -1.128650 -1.723130
H -1.058818 -2.203955 -0.120382
H -0.401448 1.118490 0.967553
H 2.628303 -0.252891 0.554381
H 1.302782 -1.229889 1.246225
H -2.850752 0.176919 0.216171
H -3.273617 -1.203112 -0.827688
H -0.262566 2.570394 -1.652984
H -0.868272 3.275593 -0.134383
H 2.317930 -3.317877 0.319308
H 3.607577 -2.379546 -0.462247
H -3.165138 -2.734746 1.216868
H -2.823575 -1.316498 2.231009
H 1.500230 3.175714 0.825092
H 2.074455 2.541640 -0.735146
H 4.435630 -1.585448 1.811747
H 3.149878 -2.536604 2.609322
H 4.445769 -3.368189 1.705011
H -5.074981 -0.305453 1.559126
H -5.401759 -1.728956 0.531455
H -5.291246 -1.914046 2.305073
H 1.288566 4.672749 -1.893590
H 0.708822 5.310324 -0.328818
H 2.455748 5.047300 -0.593683


