%chk=000278668.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278668

0 1
S -4.369875 -0.231869 1.235968
O -5.003307 -1.525988 1.041066
O -4.428646 0.440292 2.515665
O 4.897613 3.541172 -1.056912
O 3.221124 -2.202380 -0.355781
O 6.720691 1.870061 -0.363685
N -5.116829 0.876142 0.124905
N 1.185210 -0.592225 -0.783576
N -6.414167 -1.417829 -3.982258
N -8.040553 0.286844 3.185299
C 3.519382 0.141313 -0.541626
C -2.757296 -0.315905 0.666390
C -5.281246 0.447939 -1.278086
C -6.115661 1.824850 0.659261
C 4.486265 1.188564 -0.600526
C 2.174152 0.428686 -0.797429
C 5.377993 -1.448304 0.221109
C 6.311569 -0.396156 0.189033
C 3.971003 -1.245157 -0.231527
C -0.111774 -0.460209 -0.260476
C 5.902502 0.955064 -0.274113
C -2.315723 -1.450431 -0.035033
C -1.857438 0.723841 0.931941
C 4.077472 2.480103 -0.957290
C -6.239808 -0.750496 -1.472417
C -7.551874 1.276665 0.824521
C -1.012399 -1.533989 -0.498749
C -0.543882 0.665154 0.477736
C 1.783102 1.760419 -1.177573
C 2.705050 2.764989 -1.256068
C 5.772239 -2.713884 0.668152
C 7.630366 -0.616708 0.599772
C 7.092949 -2.929602 1.084850
C 8.018806 -1.885840 1.049565
C -6.337540 -1.120585 -2.867762
C -7.806400 0.720934 2.140847
H -4.271883 0.185894 -1.678021
H -5.636585 1.310091 -1.889189
H -6.150590 2.711381 -0.016018
H -5.739345 2.198271 1.648044
H 1.531984 -1.561315 -0.952667
H -3.009986 -2.282914 -0.213306
H -2.183719 1.592842 1.516284
H -7.252704 -0.509184 -1.058299
H -5.903243 -1.632493 -0.854396
H -7.770846 0.501199 0.043918
H -8.283237 2.097449 0.631062
H -0.682031 -2.418323 -1.041802
H 0.147931 1.464184 0.734749
H 0.734462 1.949099 -1.431118
H 2.442079 3.784349 -1.549204
H 5.042138 -3.529905 0.685447
H 8.349405 0.208380 0.565470
H 7.394336 -3.918260 1.435094
H 9.047820 -2.054197 1.371236
H 5.892742 3.301882 -0.844075


%chk=000278668-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278668

0 1
S -4.641219 -0.213869 1.405657
O -5.152228 -1.761185 1.328061
O -4.867572 0.719798 2.720015
O 5.114552 3.554562 -1.073046
O 3.212062 -2.112027 0.289102
O 6.918986 1.869759 -0.732675
N -5.360697 0.774039 0.009971
N 1.293645 -0.406107 0.093167
N -6.289876 -2.061319 -3.915150
N -8.839242 -0.234858 1.626269
C 3.630478 0.223066 -0.194578
C -2.812109 -0.237236 0.982681
C -5.389203 0.104988 -1.292606
C -6.215411 1.902669 0.379827
C 4.615343 1.231850 -0.487787
C 2.235271 0.577610 -0.191834
C 5.519304 -1.453908 0.102721
C 6.487836 -0.439710 -0.166389
C 4.064519 -1.154059 0.079747
C -0.078929 -0.286889 0.381722
C 6.047701 0.932085 -0.476366
C -2.271614 -1.409295 0.424782
C -2.035847 0.892343 1.292848
C 4.211212 2.568298 -0.797964
C -6.455960 -1.035887 -1.462588
C -7.758325 1.735205 0.194915
C -0.898783 -1.425041 0.120281
C -0.660677 0.863749 0.995520
C 1.862691 1.919317 -0.559125
C 2.819352 2.885230 -0.852046
C 5.953263 -2.772393 0.391098
C 7.870254 -0.754586 -0.142868
C 7.328011 -3.077001 0.414872
C 8.289210 -2.066647 0.147480
C -6.379694 -1.614743 -2.811558
C -8.351614 0.647215 0.987970
H -4.389408 -0.323608 -1.499570
H -5.555828 0.890398 -2.055362
H -5.909841 2.780024 -0.225978
H -5.999605 2.135379 1.439756
H 1.744971 -1.356930 0.166301
H -2.906440 -2.284494 0.254073
H -2.485495 1.755766 1.793454
H -7.478537 -0.658035 -1.288209
H -6.269935 -1.816303 -0.701226
H -8.004901 1.580125 -0.872680
H -8.235348 2.689455 0.492611
H -0.448883 -2.317815 -0.326589
H -0.033869 1.706838 1.296786
H 0.804886 2.174525 -0.655467
H 2.532796 3.899020 -1.145668
H 5.194148 -3.534192 0.591598
H 8.587610 0.043780 -0.355231
H 7.657291 -4.096790 0.640088
H 9.356763 -2.309276 0.166526
H 6.066735 3.111014 -0.998934


