%chk=000214829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214829

0 1
S -2.173339 -1.893310 0.805364
O -0.490912 -0.798357 -1.398323
O -2.553819 -2.890483 -0.157564
O -2.303653 -2.187035 2.223247
N 1.612720 -1.330310 -0.579875
N -0.440464 -1.650053 0.706171
C 3.140662 0.014683 0.963649
C 4.042110 0.420504 -0.263314
C 2.902745 0.726120 -1.293118
C 2.054566 1.129154 0.984712
C 1.905174 1.592184 -0.482459
C 2.464682 -1.356405 0.645090
C 2.216726 -0.585410 -1.732615
C 3.889348 -0.098938 2.286002
C 5.013505 -0.672215 -0.720359
C 4.872558 1.685839 0.009658
C 0.202113 -1.201927 -0.467457
C -2.881431 -0.376250 0.461289
C -3.038667 0.057844 -0.861195
C -3.335918 0.429456 1.516054
C -3.644767 1.286733 -1.128884
C -3.939641 1.656038 1.254958
C -4.097908 2.094576 -0.074283
C -4.759490 3.401417 -0.357132
H 3.284038 1.260544 -2.182729
H 2.361651 1.964629 1.633918
H 1.101390 0.763494 1.395905
H 0.870545 1.466920 -0.846541
H 2.139129 2.663028 -0.589297
H 3.247047 -2.132368 0.471111
H 1.882245 -1.704939 1.523405
H 1.425184 -0.373513 -2.490745
H 2.943716 -1.273672 -2.216686
H 3.218420 -0.354640 3.113859
H 4.673119 -0.863808 2.243347
H 4.378581 0.845727 2.553195
H 4.518323 -1.628879 -0.924418
H 5.532596 -0.376766 -1.639151
H 5.779339 -0.862295 0.039855
H 4.266612 2.509785 0.399141
H 5.665095 1.492503 0.740292
H 5.354565 2.043975 -0.906435
H 0.139914 -1.987363 1.489639
H -2.673313 -0.564060 -1.692793
H -3.220841 0.087604 2.552297
H -3.761075 1.615029 -2.160177
H -4.292775 2.274118 2.077493
H -4.399499 3.863044 -1.287379
H -5.847812 3.268293 -0.466279
H -4.605398 4.135357 0.445858


%chk=000214829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214829

0 1
S -2.187812 -1.886225 0.613406
O -0.528883 -0.452263 -1.508339
O -2.355916 -2.949050 -0.591395
O -2.364961 -2.364588 2.160691
N 1.508645 -0.401994 -0.346853
N -0.466526 -1.219604 0.692434
C 3.538413 0.255991 1.030604
C 4.417450 0.139782 -0.279249
C 3.449483 0.867685 -1.276151
C 3.073410 1.751156 1.005677
C 3.018889 2.152814 -0.505343
C 2.281144 -0.657954 0.891118
C 2.218841 -0.003530 -1.593706
C 4.256153 -0.127419 2.338679
C 4.775271 -1.310715 -0.686331
C 5.749717 0.927248 -0.157397
C 0.152237 -0.683730 -0.459528
C -3.279389 -0.382751 0.315204
C -3.516438 0.037970 -1.001962
C -3.861212 0.206974 1.447898
C -4.395068 1.128538 -1.180216
C -4.733239 1.297516 1.236272
C -5.014261 1.769471 -0.073319
C -5.982477 2.918019 -0.289130
H 3.954945 1.100802 -2.232715
H 3.790032 2.380973 1.564081
H 2.090846 1.867804 1.497823
H 2.008392 2.477553 -0.809587
H 3.708425 2.988176 -0.720651
H 2.590005 -1.723807 0.955068
H 1.633653 -0.440699 1.762236
H 1.496260 0.551369 -2.215100
H 2.510925 -0.905513 -2.168260
H 3.584286 -0.002441 3.209528
H 4.597380 -1.180076 2.328597
H 5.137666 0.514216 2.510181
H 3.896549 -1.963904 -0.817723
H 5.331460 -1.313009 -1.642960
H 5.428805 -1.778508 0.074087
H 5.605991 1.960345 0.202614
H 6.450092 0.422817 0.533049
H 6.243196 0.982414 -1.146344
H 0.030253 -1.646697 1.482078
H -3.015237 -0.451602 -1.840590
H -3.651053 -0.185366 2.447967
H -4.597860 1.488120 -2.195357
H -5.204198 1.782089 2.099130
H -5.702494 3.525882 -1.167106
H -7.007183 2.537982 -0.467130
H -6.026911 3.583340 0.590321


