%chk=000231867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231867

0 1
S 6.123366 -1.069763 0.700423
S -6.123388 -1.069477 -0.700358
O 7.145839 -1.154867 1.722296
O 5.889354 -2.160892 -0.214115
O -7.145872 -1.154572 -1.722220
O -5.889398 -2.160592 0.214202
N 4.692997 -0.783660 1.623494
N -4.693019 -0.783446 -1.623448
C 0.697153 -0.860386 0.240848
C -0.697180 -0.860353 -0.240808
C 3.357478 -0.847334 1.147678
C -3.357502 -0.847176 -1.147638
C 1.715474 -1.446965 -0.527616
C -1.020889 -0.282662 -1.479649
C 1.020893 -0.282694 1.479680
C -1.715531 -1.446869 0.527664
C 3.036475 -1.450156 -0.083769
C -2.336180 -0.270931 -1.936247
C 2.336184 -0.271025 1.936279
C -3.036532 -1.449998 0.083816
C 6.319551 0.393440 -0.194148
C -6.319514 0.393756 0.194178
C 7.157337 1.398377 0.302472
C -7.157303 1.398690 -0.302437
C 5.657006 0.571176 -1.412791
C -5.656917 0.571516 1.412790
C 7.325613 2.585675 -0.415047
C -7.325533 2.586012 0.415054
C 5.823583 1.758838 -2.131572
C -5.823448 1.759202 2.131543
C 6.656506 2.765404 -1.631142
C -6.656375 2.765766 1.631118
H 1.468061 -1.922030 -1.478103
H -0.235077 0.166812 -2.087031
H 0.235104 0.166829 2.087057
H -1.468143 -1.921932 1.478159
H 4.790900 -0.623517 2.635163
H -4.790922 -0.623316 -2.635118
H 3.797735 -1.968780 -0.675291
H -2.571222 0.183894 -2.894706
H 2.571250 0.183801 2.894731
H -3.797823 -1.968570 0.675345
H 7.690150 1.252606 1.249579
H -7.690156 1.252901 -1.249519
H 5.011829 -0.218647 -1.812631
H -5.011735 -0.218305 1.812627
H 7.978397 3.367662 -0.029420
H -7.978320 3.367998 0.029430
H 5.306842 1.897821 -3.080308
H -5.306666 1.898204 3.080255
H 6.786907 3.692329 -2.191688
H -6.786740 3.692709 2.191642


%chk=000231867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231867

0 1
S 6.061898 -0.593043 -0.567378
S -6.061903 -0.592734 0.567426
O 7.576851 -0.829969 -0.032468
O 5.615083 -0.791690 -2.114806
O -7.576869 -0.829605 0.032530
O -5.615087 -0.791376 2.114855
N 5.001582 -1.899220 0.454112
N -5.001649 -1.898975 -0.454049
C 0.739055 -1.779828 0.068695
C -0.739116 -1.779791 -0.068636
C 3.593963 -1.804602 0.336781
C -3.594025 -1.804424 -0.336720
C 1.585652 -2.084046 -1.039347
C -1.363665 -1.482964 -1.314691
C 1.363620 -1.483007 1.314744
C -1.585728 -2.083942 1.039413
C 2.983404 -2.110831 -0.914524
C -2.762576 -1.468735 -1.444978
C 2.762532 -1.468849 1.445031
C -2.983481 -2.110658 0.914591
C 5.524882 1.151427 -0.042080
C -5.524817 1.151704 0.042094
C 6.242340 1.770133 0.995866
C -6.242259 1.770423 -0.995855
C 4.443377 1.744006 -0.714988
C -4.443278 1.744248 0.714980
C 5.838164 3.068218 1.384845
C -5.838032 3.068484 -1.384861
C 4.053234 3.040803 -0.305993
C -4.053084 3.041022 0.305959
C 4.745140 3.695881 0.740190
C -4.744973 3.696111 -0.740229
H 1.139154 -2.360314 -2.000583
H -0.747830 -1.215283 -2.180124
H 0.747798 -1.215276 2.180171
H -1.139244 -2.360212 2.000655
H 5.366116 -1.799691 1.419533
H -5.366178 -1.799441 -1.419471
H 3.620622 -2.387347 -1.759017
H -3.219486 -1.206116 -2.407495
H 3.219454 -1.206232 2.407543
H -3.620713 -2.387124 1.759090
H 7.100996 1.268256 1.454299
H -7.100942 1.268576 -1.454269
H 3.945985 1.222498 -1.538691
H -3.945900 1.222734 1.538687
H 6.380129 3.587678 2.181906
H -6.379982 3.587953 -2.181926
H 3.216640 3.536586 -0.809025
H -3.216463 3.536777 0.808973
H 4.439777 4.702048 1.046928
H -4.439569 4.702259 -1.046988


