%chk=000244104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244104

0 1
S -2.983556 2.692550 0.528782
S -2.574941 -3.412135 -0.403711
N -0.387364 1.145310 0.253452
N -1.447968 -0.989116 -0.075327
N -3.880940 -1.154856 -0.071902
N 6.203041 -0.518913 -0.156830
C 0.970185 0.713102 0.162840
C -1.540567 0.374569 0.128403
C -2.820164 0.994346 0.221099
C 1.935192 1.568010 0.747591
C 1.375997 -0.454827 -0.507256
C 3.285469 1.247355 0.663389
C 2.730712 -0.769354 -0.585244
C 3.690626 0.076298 -0.002991
C -3.961728 0.185750 0.119384
C -2.616652 -1.679004 -0.162065
C -3.065705 3.407828 -1.131514
C 5.079585 -0.252567 -0.087769
C -0.822958 -3.814357 -0.465926
H -0.525710 2.130141 0.535786
H 1.630807 2.472916 1.272398
H 0.639450 -1.120975 -0.966184
H 4.032510 1.902486 1.116432
H 3.048641 -1.675892 -1.104540
H -4.975508 0.608282 0.192287
H -3.952900 3.067106 -1.676822
H -2.180291 3.170940 -1.729765
H -3.130353 4.498475 -1.020159
H -0.265883 -3.386400 0.380845
H -0.351802 -3.454156 -1.388800
H -0.728927 -4.908113 -0.424485


%chk=000244104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244104

0 1
S -2.924720 2.767157 0.666958
S -2.725741 -3.470506 -0.598866
N -0.396894 1.029981 0.323895
N -1.517204 -1.047878 -0.110221
N -3.957977 -1.159438 -0.079165
N 6.336299 -0.357799 -0.135404
C 0.964009 0.672072 0.221426
C -1.560007 0.292976 0.165684
C -2.825293 0.966830 0.307125
C 1.918458 1.697738 0.487212
C 1.421876 -0.627674 -0.133606
C 3.293303 1.438041 0.398014
C 2.801151 -0.881562 -0.223050
C 3.755527 0.140133 0.038621
C -3.984949 0.180753 0.187304
C -2.709423 -1.696821 -0.224372
C -2.981081 3.443509 -1.110280
C 5.163537 -0.130987 -0.057293
C -0.887621 -3.840567 -0.710444
H -0.593171 2.007352 0.587847
H 1.575925 2.701557 0.766795
H 0.687342 -1.408697 -0.327696
H 4.016975 2.232275 0.604757
H 3.150139 -1.882131 -0.497875
H -4.974171 0.634026 0.310147
H -3.899251 3.093308 -1.603263
H -2.091780 3.115572 -1.669146
H -2.992016 4.540889 -1.019974
H -0.397666 -3.598023 0.243377
H -0.436815 -3.266645 -1.532949
H -0.820461 -4.920642 -0.914159


