%chk=000216408.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216408

0 1
S -6.918750 2.615549 0.225778
O -0.374116 0.529803 -0.025051
O -7.174141 2.940289 -1.414671
O -8.118105 1.915648 0.617516
O -6.581280 3.876888 0.827720
O -2.096153 -5.076163 -0.458393
O 0.136738 -4.913029 -0.463513
N -2.203285 -0.967021 -0.118760
N -2.376446 -2.330313 -0.225832
N 7.764083 2.480802 -0.108762
C -3.349119 -0.113297 -0.034009
C -0.086607 -1.912788 -0.225711
C -0.766095 -0.602935 -0.110768
C -1.179482 -2.902419 -0.289354
C -5.565445 1.581092 0.131575
C -3.158273 1.279103 0.073236
C -4.651354 -0.657868 -0.054964
C -4.269452 2.113771 0.154358
C -5.747257 0.194086 0.026787
C 6.726860 1.532965 -0.037359
C 1.249542 -2.142588 -0.262886
C 4.624022 -0.373428 -0.161463
C 5.367994 1.944296 -0.002316
C 7.008785 0.141863 -0.123729
C 4.348232 1.007540 -0.068486
C 5.976930 -0.780064 -0.189714
C 2.244952 -1.105726 -0.193482
C 3.573073 -1.372780 -0.227683
C -0.938250 -4.353145 -0.409105
C 7.479968 3.872656 0.326511
C 9.144509 2.044235 0.224645
H -2.150258 1.708438 0.092396
H -4.799150 -1.738261 -0.135404
H -4.122307 3.197994 0.243220
H -6.760662 -0.227219 0.015916
H 1.596900 -3.189839 -0.351545
H 5.114815 3.000330 0.064617
H 8.038568 -0.207289 -0.151955
H 3.307803 1.345877 -0.045061
H 6.216862 -1.842960 -0.261611
H 1.877405 -0.072794 -0.110085
H 3.919386 -2.412653 -0.310860
H 8.322083 4.528715 0.048748
H 7.310100 3.962913 1.411808
H 6.588436 4.257549 -0.201657
H 9.861378 2.835935 -0.051623
H 9.411302 1.151101 -0.369053
H 9.279611 1.808472 1.292809
H -8.072508 3.194587 -1.663714
H -1.920040 -6.058420 -0.539563


%chk=000216408-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216408

0 1
S -7.177504 2.538304 0.231001
O -0.398494 0.604703 -0.005348
O -7.418577 2.773717 -1.601083
O -8.433085 1.684507 0.793432
O -6.806748 3.973076 0.882948
O -2.181362 -5.052432 -0.491335
O 0.136131 -4.899098 -0.483648
N -2.241601 -0.954390 -0.131554
N -2.425994 -2.340477 -0.251183
N 7.927558 2.432215 0.145824
C -3.389360 -0.121089 -0.052189
C -0.137348 -1.874664 -0.218250
C -0.841788 -0.580161 -0.105196
C -1.186373 -2.876635 -0.302100
C -5.657666 1.469999 0.104499
C -3.250472 1.289969 0.064170
C -4.677626 -0.724145 -0.083032
C -4.402219 2.096627 0.139174
C -5.828568 0.079289 -0.007030
C 6.866896 1.539579 0.072673
C 1.251181 -2.058029 -0.233924
C 4.652172 -0.311157 -0.081832
C 5.503201 2.000287 0.106592
C 7.089318 0.124248 -0.040070
C 4.438241 1.102091 0.031474
C 6.010950 -0.761142 -0.114181
C 2.209605 -1.007952 -0.144765
C 3.578543 -1.273756 -0.163398
C -0.988282 -4.331922 -0.430668
C 7.676885 3.879328 0.263542
C 9.315133 1.939963 0.108037
H -2.253911 1.734130 0.091398
H -4.753526 -1.809858 -0.168370
H -4.323508 3.183535 0.237705
H -6.829412 -0.362498 -0.017290
H 1.608276 -3.093543 -0.321088
H 5.287472 3.068315 0.192225
H 8.106630 -0.273970 -0.068445
H 3.416388 1.494620 0.059571
H 6.209593 -1.836791 -0.200054
H 1.828620 0.015731 -0.060385
H 3.883270 -2.329040 -0.249253
H 8.637869 4.413675 0.306200
H 7.110408 4.121178 1.183896
H 7.109448 4.266084 -0.605197
H 10.007211 2.792958 0.172433
H 9.527963 1.396830 -0.833446
H 9.529410 1.260750 0.956349
H -8.245769 3.325355 -1.722256
H -1.957377 -6.018818 -0.577077


