%chk=000200526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200526

0 1
S 0.968843 2.646129 0.652961
N 2.468700 -1.189115 0.345934
C 1.146879 0.957827 -0.033931
C 2.183508 0.193782 0.808227
C -0.216710 0.340693 -0.089215
C -0.968715 0.440163 -1.272326
C -0.768017 -0.320187 1.020373
C -2.249931 -0.111976 -1.341005
C -2.049204 -0.872597 0.945960
C 3.209042 -1.238361 -0.944448
C -2.793356 -0.770341 -0.233231
H 1.555930 1.102339 -1.067195
H 3.138529 0.767542 0.839550
H 1.850369 0.110603 1.869217
H 1.589118 -1.711849 0.251483
H -0.558496 0.957718 -2.138509
H -0.198004 -0.410781 1.944765
H -2.827379 -0.027633 -2.260763
H -2.468392 -1.384913 1.811049
H 0.021647 2.414678 1.587370
H 2.666634 -0.832058 -1.810297
H 3.459777 -2.291563 -1.157385
H 4.163135 -0.694577 -0.848960
H -3.791406 -1.200522 -0.288825


%chk=000200526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200526

0 1
S 1.009188 2.816559 0.741223
N 2.465489 -1.135614 0.322512
C 1.138305 1.030701 0.021487
C 2.201803 0.220315 0.825363
C -0.224717 0.367106 -0.082543
C -0.926150 0.369162 -1.315810
C -0.830218 -0.265612 1.036772
C -2.198189 -0.234423 -1.430648
C -2.102429 -0.868510 0.926687
C 3.087071 -1.242844 -1.008734
C -2.792479 -0.855709 -0.308102
H 1.525770 1.235645 -0.992786
H 3.146027 0.796418 0.815489
H 1.889879 0.147378 1.885045
H 1.663358 -1.765616 0.443080
H -0.473694 0.855867 -2.188780
H -0.312212 -0.281907 2.003636
H -2.724488 -0.219587 -2.391729
H -2.555580 -1.347719 1.801996
H 0.491932 2.419703 1.964747
H 2.458187 -0.884712 -1.859333
H 3.347858 -2.297762 -1.206855
H 4.027537 -0.660776 -1.018397
H -3.779746 -1.323063 -0.393522


