%chk=000299054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299054

0 1
S -1.613974 0.072007 2.046197
O -1.085870 -0.001806 -0.587961
N -3.276569 0.037355 -0.051789
C 0.350076 2.603187 -0.425325
C 0.286792 -2.628316 -0.296908
C 0.947580 1.230506 -0.082932
C 0.918354 -1.255833 -0.021378
C 0.285907 -0.007696 -0.190081
C 2.272999 1.192031 0.379035
C 2.242984 -1.225887 0.438534
C -0.836207 2.514344 -1.403402
C -0.096171 3.270759 0.886385
C 1.430514 3.476688 -1.107917
C 1.346621 -3.563456 -0.928236
C -0.892464 -2.558058 -1.284956
C -0.182173 -3.216712 1.044428
C 2.913994 -0.017666 0.665848
C 4.308416 -0.031532 1.205382
C -2.004957 0.034966 0.428691
C -3.593572 0.005178 -1.496446
C -4.415276 0.074892 0.895682
H 2.813110 2.128189 0.528518
H 2.762973 -2.164729 0.635314
H -1.762931 2.235016 -0.893978
H -0.650544 1.774182 -2.188987
H -1.023397 3.477474 -1.889265
H -0.830772 2.652030 1.420875
H -0.552674 4.247270 0.705453
H 0.744107 3.414760 1.573384
H 1.023934 4.452033 -1.392909
H 2.282944 3.667809 -0.446917
H 1.813095 2.995840 -2.013822
H 0.915735 -4.541329 -1.164746
H 1.744921 -3.140021 -1.855741
H 2.191229 -3.742272 -0.253875
H -0.684183 -1.863075 -2.105367
H -1.102551 -3.539097 -1.723262
H -1.813796 -2.229619 -0.795419
H -0.663162 -4.189071 0.910658
H 0.651344 -3.347318 1.742265
H -0.902578 -2.553074 1.543070
H 4.311587 -0.342603 2.261015
H 4.950878 -0.732869 0.656190
H 4.791297 0.952714 1.159019
H -4.165394 0.902431 -1.789109
H -4.185266 -0.892566 -1.744724
H -2.668389 -0.020098 -2.105909
H -4.386769 -0.798868 1.576606
H -5.374591 0.070857 0.358284
H -4.367562 0.982754 1.529225


%chk=000299054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299054

0 1
S -1.955847 0.063459 1.955230
O -1.095380 -0.003038 -0.667056
N -3.361228 0.030050 -0.390281
C 0.365157 2.675165 -0.316300
C 0.299611 -2.695564 -0.186838
C 0.928652 1.244608 -0.038883
C 0.900295 -1.267709 0.020753
C 0.265035 -0.007478 -0.197116
C 2.266822 1.191010 0.434024
C 2.237408 -1.223517 0.490018
C -1.056956 2.766755 -0.934821
C 0.330661 3.456204 1.035199
C 1.323157 3.399687 -1.316077
C 1.243663 -3.498851 -1.138797
C -1.119500 -2.781519 -0.812716
C 0.233815 -3.403170 1.203537
C 2.930268 -0.017329 0.720992
C 4.348007 -0.027232 1.267594
C -2.150616 0.029558 0.253885
C -3.510960 -0.003346 -1.860023
C -4.597887 0.065459 0.413943
H 2.809400 2.128781 0.594246
H 2.758576 -2.165333 0.694338
H -1.836847 2.437795 -0.228704
H -1.145545 2.179627 -1.864296
H -1.257249 3.828011 -1.177639
H -0.324718 2.938306 1.758314
H -0.061626 4.477857 0.870210
H 1.334389 3.545781 1.486935
H 0.965754 4.432032 -1.490737
H 2.359584 3.462536 -0.942986
H 1.344920 2.872143 -2.287794
H 0.859093 -4.529144 -1.259194
H 1.285725 -3.026518 -2.137883
H 2.275704 -3.569358 -0.755200
H -1.183528 -2.244456 -1.773939
H -1.347725 -3.848627 -0.998535
H -1.895456 -2.392098 -0.133692
H -0.186534 -4.420743 1.090056
H 1.231864 -3.496898 1.666908
H -0.411021 -2.829690 1.893556
H 4.363295 -0.335602 2.330717
H 4.991863 -0.735665 0.714305
H 4.812944 0.971914 1.205429
H -4.051718 0.896808 -2.208037
H -4.083210 -0.900322 -2.162983
H -2.521245 -0.032556 -2.331613
H -4.652472 -0.808620 1.086592
H -5.461099 0.061911 -0.271774
H -4.627694 0.970626 1.045831


