%chk=000299796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299796

0 1
S 5.100668 -1.753042 0.276281
S 7.600949 -0.675129 1.103039
O 4.479486 0.845483 -1.186125
O -4.009782 1.921923 1.923206
O 3.392154 -0.695688 -2.454613
O -5.538135 -1.890320 -1.764613
O 0.747349 0.983016 1.228731
N 1.360484 -0.481718 -0.402416
C 2.792712 -0.362580 -0.074169
C 3.325206 -1.622293 0.610138
C 3.561876 -0.154933 -1.390857
C 0.400645 0.253963 0.312170
C -3.434365 0.170094 0.329532
C -0.998708 0.057360 -0.141407
C -2.017757 0.303437 0.693871
C -4.391903 1.026361 0.926941
C -3.882015 -0.796814 -0.571494
C -5.260306 -0.888872 -0.859601
C 5.829672 -0.394712 1.227340
C -5.754521 0.933994 0.629789
C -6.202580 -0.036929 -0.269654
C 5.375307 1.156181 -2.289432
C -3.433917 3.157635 1.424738
C -6.921791 -2.100800 -2.135872
C 7.922836 -1.921789 2.365579
H 2.938677 0.539344 0.597007
H 3.097924 -1.614121 1.691749
H 2.862791 -2.547209 0.204761
H 1.115848 -1.115869 -1.160313
H -1.148122 -0.261600 -1.172823
H -1.838364 0.647290 1.727445
H -3.193955 -1.493549 -1.048542
H 5.463728 -0.358865 2.265678
H 5.599832 0.586134 0.751910
H -6.455905 1.612024 1.116298
H -7.261735 -0.117507 -0.493853
H 4.822985 1.178874 -3.234809
H 5.764678 2.141908 -2.016743
H 6.162415 0.394692 -2.313959
H -4.174349 3.703036 0.834576
H -2.528509 2.954647 0.845465
H -3.194823 3.688629 2.354374
H -7.512217 -2.386032 -1.260495
H -6.836962 -2.938287 -2.841617
H -7.323070 -1.211906 -2.630627
H 7.337690 -2.835386 2.201367
H 8.987681 -2.187024 2.306733
H 7.718298 -1.549954 3.374813


%chk=000299796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299796

0 1
S 5.630645 -0.543710 0.593973
S 4.890591 -0.044381 3.673785
O 5.215495 0.391480 -2.710400
O -2.878408 0.966596 2.741756
O 3.324843 -0.654514 -3.579502
O -5.269145 -1.486149 -1.738771
O 1.608629 0.589538 0.868958
N 1.941805 -0.216653 -1.281762
C 3.393368 -0.025221 -1.197677
C 4.040014 -1.095721 -0.247413
C 3.943923 -0.129894 -2.618487
C 1.118735 0.113566 -0.215083
C -2.689488 -0.059330 0.500542
C -0.330384 -0.123883 -0.436712
C -1.233727 0.120821 0.559436
C -3.490546 0.389581 1.600958
C -3.348687 -0.681474 -0.590995
C -4.749351 -0.855392 -0.596946
C 4.889774 0.607033 1.917854
C -4.886300 0.207480 1.595288
C -5.530247 -0.414760 0.503868
C 5.881728 0.264292 -4.034030
C -2.689842 2.429630 2.666845
C -6.716223 -1.706545 -1.791533
C 3.574503 -1.375840 3.492509
H 3.610214 0.974553 -0.780882
H 3.308452 -1.317554 0.542751
H 4.279367 -2.027201 -0.787271
H 1.576424 -0.602227 -2.158753
H -0.640648 -0.488967 -1.424833
H -0.828855 0.485012 1.513273
H -2.785032 -1.060204 -1.449053
H 3.856448 0.846011 1.615180
H 5.509797 1.515354 1.934897
H -5.461605 0.543474 2.463980
H -6.614706 -0.554988 0.524521
H 5.313747 0.822304 -4.796608
H 6.879241 0.696927 -3.881108
H 5.944998 -0.796711 -4.326810
H -3.663954 2.946707 2.563681
H -2.035377 2.703765 1.816434
H -2.209693 2.716060 3.614653
H -7.054345 -2.365237 -0.967886
H -6.895520 -2.200893 -2.757368
H -7.271784 -0.749100 -1.754537
H 3.947004 -2.178791 2.836003
H 3.394212 -1.777427 4.501691
H 2.648013 -0.934319 3.091081


