%chk=000200942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200942

0 1
S 0.507314 -1.495229 -0.589021
N -1.585055 0.133196 0.156635
N -1.972246 -2.184567 0.080156
C 1.465836 -0.012600 0.059847
C 0.620262 1.205857 -0.059035
C 2.686436 0.019979 -0.847066
C 1.814603 -0.323927 1.506638
C -0.728354 1.253401 0.007281
C -1.157297 -1.084709 -0.064614
C -1.498255 2.536078 -0.061401
H 1.189407 2.127576 -0.175714
H 3.381398 0.812724 -0.537338
H 3.252990 -0.920018 -0.831331
H 2.416334 0.226520 -1.892873
H 2.374054 -1.260989 1.614697
H 2.428655 0.476910 1.940399
H 0.917220 -0.403557 2.136107
H -2.135288 2.655381 0.829951
H -2.178405 2.539211 -0.927320
H -0.850673 3.416657 -0.135530
H -2.959939 -2.057455 0.245668
H -1.664198 -3.099037 -0.203135


%chk=000200942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200942

0 1
S 0.485153 -1.508983 -0.850972
N -1.524724 0.127855 0.266472
N -1.974038 -2.168096 0.105247
C 1.468517 -0.033595 -0.018017
C 0.631116 1.222757 -0.152349
C 2.789358 0.068792 -0.805570
C 1.717911 -0.409927 1.460573
C -0.729507 1.271442 0.015002
C -1.142517 -1.079378 -0.061519
C -1.523271 2.557856 -0.052459
H 1.172155 2.151112 -0.371670
H 3.401582 0.887649 -0.381550
H 3.373762 -0.865792 -0.733914
H 2.603461 0.290490 -1.870345
H 2.281947 -1.357389 1.537002
H 2.304111 0.392604 1.949167
H 0.766590 -0.517733 2.009039
H -2.063735 2.722028 0.898104
H -2.286875 2.501142 -0.850460
H -0.869880 3.425341 -0.244320
H -2.931119 -2.000649 0.412728
H -1.625199 -3.116124 -0.007187


