%chk=000219341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219341

0 1
S -4.021940 -1.193584 -0.717174
S -2.135025 -3.122655 -2.065288
N -1.465380 -0.814096 -0.855771
N 2.180170 -1.589066 -0.095452
C -0.019636 -0.960272 -1.142254
C -1.975997 0.295939 -0.112730
C 0.715094 -1.565855 0.078207
C -3.381737 0.243799 0.040990
C -2.408815 -1.741710 -1.247166
C -1.240643 1.354116 0.438562
C -4.071222 1.238834 0.722890
C 2.913568 -0.375951 -0.147817
C -1.939934 2.350358 1.121872
C -3.336485 2.298965 1.262663
C 2.411072 0.833096 0.374472
C 4.229080 -0.420489 -0.670625
C 3.224219 1.968104 0.389986
C 5.019489 0.724768 -0.644367
C 4.524421 1.924760 -0.117581
H 0.119606 -1.609420 -2.042260
H 0.405067 0.034412 -1.412491
H 0.459660 -1.006974 1.008187
H 0.370707 -2.614158 0.248800
H 2.497913 -2.317028 -0.737795
H -0.151926 1.399146 0.344846
H -5.154440 1.195453 0.835704
H -1.389787 3.186201 1.557372
H -3.851705 3.093815 1.800972
H 1.401746 0.888946 0.781006
H 4.628636 -1.346046 -1.075677
H 2.835875 2.898939 0.803272
H 6.034741 0.687209 -1.040324
H 5.149308 2.812943 -0.103129


%chk=000219341-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219341

0 1
S -4.064771 -1.492602 -0.402122
S -1.942803 -3.307585 -1.792326
N -1.549338 -0.760130 -0.774630
N 2.167307 -1.479480 -0.407384
C -0.120290 -0.794818 -1.152419
C -2.140234 0.338867 -0.103167
C 0.752721 -1.478896 -0.056154
C -3.518236 0.136054 0.185150
C -2.370946 -1.858032 -1.030075
C -1.509926 1.548048 0.269497
C -4.281940 1.116586 0.841141
C 3.034734 -0.388493 -0.254130
C -2.276605 2.534434 0.927308
C -3.648440 2.325676 1.213249
C 2.647642 0.807411 0.420248
C 4.362047 -0.474195 -0.772776
C 3.564496 1.871339 0.565937
C 5.263736 0.595719 -0.621474
C 4.875834 1.782571 0.047569
H -0.038315 -1.374274 -2.088127
H 0.228682 0.233310 -1.343438
H 0.594758 -0.980305 0.918520
H 0.409417 -2.522616 0.053240
H 2.526053 -2.294243 -0.903643
H -0.453224 1.728539 0.051129
H -5.341527 0.951355 1.058605
H -1.798782 3.475407 1.218992
H -4.224805 3.103137 1.724629
H 1.646333 0.902490 0.854063
H 4.678632 -1.387345 -1.293438
H 3.247309 2.778203 1.094531
H 6.277001 0.503041 -1.029273
H 5.579180 2.613326 0.162668


