%chk=000296019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296019

0 1
S -5.271378 -0.643069 0.030615
N -1.324392 0.234720 -0.071628
C -0.329906 0.133602 1.049318
C -2.727155 0.120307 0.457301
C 1.076357 0.031120 0.506144
C -1.142145 1.506225 -0.831530
C -3.591243 -0.466715 -0.659689
C 1.379868 -0.891852 -0.506770
C 2.092394 0.838643 1.037280
C 2.688308 -1.005103 -0.980969
C 3.401655 0.718238 0.561240
C 3.702344 -0.202170 -0.446864
H -0.551544 -0.800802 1.619429
H -0.412315 0.972493 1.775160
H -3.138499 1.092249 0.808912
H -2.737223 -0.562904 1.337276
H -1.857873 1.535165 -1.667797
H -0.129098 1.515632 -1.270496
H -1.265877 2.422811 -0.236725
H -3.191262 -1.444703 -0.988501
H -3.609383 0.189362 -1.548737
H 0.583213 -1.508204 -0.925596
H 1.868498 1.559958 1.819849
H 2.919718 -1.720880 -1.767813
H 4.188177 1.344836 0.977779
H 4.721359 -0.294154 -0.815657
H -5.845698 -1.343506 -0.969631


%chk=000296019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296019

0 1
S -5.355626 -0.752260 0.072924
N -1.341082 0.315715 -0.040237
C -0.316596 0.285491 1.033091
C -2.718574 0.080576 0.453816
C 1.104696 0.113619 0.501094
C -1.225944 1.523654 -0.886224
C -3.600261 -0.544736 -0.641869
C 1.369377 -0.769300 -0.576438
C 2.186913 0.795367 1.109103
C 2.690785 -0.969315 -1.032154
C 3.512407 0.592931 0.658764
C 3.768629 -0.291158 -0.413960
H -0.557703 -0.573476 1.690927
H -0.354491 1.200735 1.677875
H -3.198605 1.019004 0.828417
H -2.671050 -0.621763 1.306600
H -1.941436 1.475658 -1.724564
H -0.210559 1.581045 -1.313198
H -1.419286 2.466622 -0.316473
H -3.204493 -1.531642 -0.927579
H -3.665137 0.101820 -1.531533
H 0.523659 -1.277468 -1.053124
H 1.992587 1.488918 1.937200
H 2.882571 -1.653178 -1.867167
H 4.340075 1.127314 1.139105
H 4.794271 -0.446822 -0.767286
H -5.888225 -1.406050 -1.025211


