%chk=000299034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299034

0 1
S 2.348186 1.782977 0.590619
O 1.960617 -0.737606 -0.179743
N 4.129115 -0.166217 0.082127
C -3.693166 0.113820 -0.018103
C -2.176679 -0.096542 -0.065392
C -3.942296 1.597974 0.314046
C -4.329795 -0.780227 1.065153
C -4.356078 -0.230596 -1.366123
C -1.459868 -0.292358 1.129534
C -1.473242 -0.042130 -1.279455
C -0.073831 -0.456398 1.124325
C -0.084903 -0.199711 -1.318230
C 0.577219 -0.413762 -0.109717
C 2.844508 0.259968 0.156398
C 4.498395 -1.541304 -0.318742
C 5.228324 0.778262 0.389790
H -5.011766 1.822853 0.364930
H -3.499216 1.874299 1.277125
H -3.499890 2.255614 -0.442620
H -3.986245 -0.514688 2.070599
H -5.420705 -0.685755 1.064875
H -4.089736 -1.835888 0.899625
H -5.444542 -0.122713 -1.308268
H -4.013239 0.427811 -2.171393
H -4.144629 -1.263512 -1.662386
H -1.988161 -0.309777 2.083905
H -2.003986 0.136112 -2.215231
H 0.486417 -0.596489 2.045984
H 0.467649 -0.149904 -2.252981
H 5.093512 -1.529711 -1.247990
H 3.595915 -2.157476 -0.503092
H 5.084019 -2.032949 0.476885
H 5.131988 1.165596 1.423725
H 5.196003 1.652602 -0.290281
H 6.208006 0.289123 0.287598


%chk=000299034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299034

0 1
S 2.606083 1.988916 0.583440
O 2.013320 -0.575903 -0.282328
N 4.223453 -0.165620 0.109186
C -3.753629 0.101959 -0.019267
C -2.217104 -0.057309 -0.110595
C -4.089329 1.523054 0.527081
C -4.330280 -0.972715 0.951404
C -4.447421 -0.065335 -1.395240
C -1.424122 0.054614 1.066396
C -1.541794 -0.308536 -1.331695
C -0.022261 -0.075686 1.036326
C -0.134495 -0.437837 -1.384088
C 0.610453 -0.318537 -0.199747
C 2.965618 0.379459 0.139347
C 4.508340 -1.559852 -0.289653
C 5.375240 0.686126 0.464276
H -5.185101 1.653341 0.608368
H -3.652385 1.689518 1.527851
H -3.694956 2.305379 -0.146747
H -3.897713 -0.883888 1.964025
H -5.427061 -0.857970 1.040208
H -4.116999 -1.992110 0.580567
H -5.539610 0.055537 -1.275488
H -4.105429 0.694727 -2.121879
H -4.266934 -1.067657 -1.826180
H -1.905610 0.249303 2.031390
H -2.106255 -0.403222 -2.263499
H 0.572131 0.019637 1.948979
H 0.383587 -0.626866 -2.329345
H 5.141622 -1.576639 -1.196936
H 3.567934 -2.083879 -0.499529
H 5.042432 -2.084074 0.524842
H 5.260105 1.089452 1.485618
H 5.453755 1.546412 -0.224195
H 6.292316 0.077499 0.404605


