%chk=000269301.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269301

0 1
S -1.474325 -0.394821 0.966773
O -1.666585 0.831413 1.707762
O -0.663533 -1.505800 1.431738
O 3.909534 -1.513296 0.964213
O 5.338214 -0.862437 -1.454652
O 2.199901 2.291284 1.133157
O 0.795036 0.553372 1.482939
N -0.966685 0.046333 -0.644408
C -0.348957 -0.985650 -1.527895
C -0.639631 1.406177 -0.973004
C 1.162629 -0.989049 -1.487459
C -3.041423 -1.047507 0.605412
C 0.306098 2.171502 -0.251530
C -1.311930 1.988629 -2.066863
C 1.812566 -1.338508 -0.294536
C -4.125149 -0.188453 0.399236
C -3.227111 -2.431980 0.538362
C 1.913933 -0.634553 -2.611316
C 0.534230 3.510913 -0.610970
C 3.200397 -1.284477 -0.205613
C -5.576866 -2.098295 0.034932
C -5.388566 -0.707658 0.112739
C -4.486419 -2.959169 0.252386
C -1.065700 3.315549 -2.412356
C 3.311444 -0.625445 -2.550479
C 3.967307 -0.943724 -1.353186
C -0.147378 4.082387 -1.683312
C 1.062518 1.564975 0.863057
C -6.929070 -2.658305 -0.256238
C 3.131779 -1.915853 2.124798
C 6.124394 -1.263513 -0.304853
C 3.090643 1.738740 2.141491
H -0.714286 -0.812159 -2.567609
H -0.734934 -1.987195 -1.223067
H -2.032533 1.396743 -2.629531
H 1.206494 -1.613610 0.585484
H -3.987785 0.896041 0.471610
H -2.382770 -3.107024 0.722158
H 1.422699 -0.358771 -3.542079
H 1.262223 4.096215 -0.040566
H -6.228231 -0.033833 -0.043919
H -4.624916 -4.037166 0.204361
H -1.594767 3.762068 -3.255309
H 3.908551 -0.362421 -3.422214
H 0.034997 5.120081 -1.955696
H -6.882010 -3.625263 -0.775868
H -7.488896 -2.823041 0.678260
H -7.537279 -1.988535 -0.879743
H 3.880465 -1.883790 2.921657
H 2.307749 -1.208456 2.309932
H 2.746964 -2.928657 1.974827
H 5.899868 -2.300545 -0.035537
H 5.923960 -0.590869 0.536066
H 7.147313 -1.152427 -0.679983
H 3.796126 2.558107 2.309189
H 2.527295 1.487424 3.046138
H 3.582808 0.850701 1.722510


%chk=000269301-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269301

0 1
S -1.473274 -0.881403 1.626273
O -1.491449 0.441167 2.570342
O -1.114170 -2.363124 2.193246
O 4.996003 -0.735794 -0.103080
O 5.446381 -1.770487 -2.732369
O 0.250047 2.928970 2.524740
O 1.624649 1.118437 2.037025
N -0.134860 -0.519515 0.243762
C 0.097341 -1.742407 -0.564029
C -0.311493 0.753253 -0.369579
C 1.513436 -1.718878 -1.132641
C -3.152585 -0.984392 0.767403
C 0.001766 1.939016 0.373130
C -0.808883 0.883839 -1.696771
C 2.579455 -1.241136 -0.332859
C -3.876702 0.203075 0.567466
C -3.608944 -2.248523 0.358804
C 1.774719 -2.198442 -2.434429
C -0.256419 3.206685 -0.205026
C 3.903964 -1.249364 -0.820298
C -5.632656 -1.146121 -0.524773
C -5.124525 0.106386 -0.086434
C -4.860466 -2.315765 -0.292389
C -1.005634 2.151820 -2.276019
C 3.103179 -2.233116 -2.914727
C 4.177669 -1.772161 -2.125580
C -0.749845 3.320579 -1.521654
C 0.696036 1.892900 1.702469
C -6.990938 -1.236516 -1.195443
C 4.720585 -0.177148 1.230649
C 6.582762 -2.321191 -1.965787
C 0.822656 2.938783 3.890054
H -0.640413 -1.892565 -1.382646
H -0.010253 -2.590174 0.140571
H -1.038216 -0.014261 -2.277985
H 2.341275 -0.817485 0.647909
H -3.488556 1.160846 0.928414
H -3.018210 -3.146348 0.568614
H 0.956171 -2.557299 -3.069510
H -0.039946 4.101822 0.384808
H -5.711952 1.016354 -0.254389
H -5.244137 -3.289746 -0.617138
H -1.372207 2.228260 -3.305527
H 3.338368 -2.609237 -3.915354
H -0.919642 4.310033 -1.958757
H -7.056303 -2.110526 -1.866017
H -7.794263 -1.340003 -0.440545
H -7.213082 -0.331339 -1.786903
H 5.691378 0.202665 1.582311
H 3.979875 0.640339 1.181388
H 4.346539 -0.958730 1.918953
H 6.388349 -3.377349 -1.694114
H 6.771553 -1.728443 -1.056596
H 7.439534 -2.265279 -2.654967
H 0.355963 3.802774 4.383619
H 0.560463 1.998236 4.402172
H 1.920305 3.044429 3.851608


