%chk=000210284.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210284

0 1
S 7.166957 -0.806147 -0.809582
S 7.773956 0.377445 0.758690
O 6.685705 -0.195877 1.901641
O 9.057773 -0.040752 1.212220
O 7.423323 1.732036 0.505377
N 3.176268 -0.021257 -0.793550
C -6.891191 -0.020667 -0.188460
C -7.105346 1.357278 0.478736
C -8.138486 -0.850200 0.196528
C -8.627990 1.543998 0.610390
C -9.279858 0.163511 0.391246
C -5.587623 -0.709941 0.240467
C -4.347714 0.010706 -0.304908
C -3.055372 -0.709512 0.103508
C -1.815705 0.013632 -0.439989
C -0.523115 -0.706264 -0.031921
C 0.713527 0.017939 -0.577941
C 2.004291 -0.706532 -0.163436
C 4.475281 -0.597565 -0.324292
C 5.561190 -0.074212 -1.262211
H -6.881958 0.115435 -1.295462
H -6.626030 1.389140 1.472269
H -6.646921 2.163884 -0.113323
H -8.380725 -1.594853 -0.576639
H -7.963421 -1.413454 1.129294
H -8.888980 1.953023 1.600028
H -8.999353 2.269994 -0.132162
H -9.938596 0.183324 -0.493501
H -9.916842 -0.117155 1.245464
H -5.595077 -1.758995 -0.114698
H -5.534538 -0.769401 1.344480
H -4.407703 0.080155 -1.408265
H -4.328743 1.055201 0.061625
H -2.997231 -0.780392 1.206730
H -3.074204 -1.753390 -0.264781
H -1.798158 1.057928 -0.072711
H -1.874906 0.083932 -1.543575
H -0.543135 -1.750039 -0.401801
H -0.465283 -0.777041 1.071492
H 0.727948 1.065463 -0.220863
H 0.663221 0.079286 -1.684562
H 2.075109 -0.760343 0.944507
H 1.985464 -1.755418 -0.535956
H 3.149173 0.982099 -0.575749
H 4.418958 -1.709072 -0.380926
H 4.708785 -0.350135 0.738866
H 5.355048 -0.374196 -2.314022
H 5.616942 1.034412 -1.266036
H 7.037484 -0.411809 2.781367


%chk=000210284-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210284

0 1
S 7.157418 -1.032886 -1.165234
S 8.253128 0.577966 0.380229
O 8.140669 -0.478239 1.912923
O 9.819386 0.887330 0.119804
O 7.230025 1.828500 0.562259
N 3.194398 -0.128377 -0.431059
C -7.047509 0.006294 -0.206444
C -7.313877 1.338732 0.545121
C -8.333516 -0.806383 0.102382
C -8.827900 1.626427 0.323363
C -9.491928 0.231614 0.042508
C -5.742504 -0.718132 0.187410
C -4.453530 0.051945 -0.181848
C -3.164024 -0.725067 0.166128
C -1.871392 0.023470 -0.229792
C -0.585314 -0.759395 0.118211
C 0.704849 -0.032761 -0.323261
C 1.979075 -0.825078 0.027992
C 4.483787 -0.808043 -0.266924
C 5.522441 -0.129098 -1.180649
H -7.020055 0.219339 -1.297956
H -7.103647 1.186666 1.623832
H -6.672991 2.169288 0.198569
H -8.481379 -1.652010 -0.594180
H -8.249907 -1.231727 1.123257
H -9.278247 2.132507 1.196278
H -8.967992 2.298707 -0.543488
H -9.963556 0.225763 -0.957610
H -10.287224 -0.002708 0.772804
H -5.716845 -1.713676 -0.303976
H -5.755876 -0.911074 1.281625
H -4.462419 0.276985 -1.269329
H -4.442575 1.030746 0.339323
H -3.147407 -0.937990 1.255701
H -3.184483 -1.711934 -0.342314
H -1.849226 1.011658 0.275320
H -1.889587 0.231566 -1.319997
H -0.626072 -1.758072 -0.364702
H -0.553556 -0.943033 1.212431
H 0.745697 0.966546 0.160008
H 0.684735 0.142610 -1.416523
H 2.000837 -1.020874 1.128642
H 1.949225 -1.816558 -0.466806
H 3.214717 0.872085 -0.196370
H 4.354535 -1.865206 -0.567986
H 4.868312 -0.814253 0.779386
H 5.178641 -0.080770 -2.230543
H 5.725575 0.907963 -0.838175
H 8.819291 -0.126158 2.563262


