%chk=000180686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180686

0 1
S -3.806229 -0.726793 1.684981
P -2.434438 0.450618 1.114655
O -0.834486 -0.123172 1.327834
O -2.233702 1.720696 2.113924
O 2.428105 0.327260 -0.918932
O 0.435172 1.365076 -0.771694
N -2.466060 1.011559 -0.514785
C -0.395237 -1.217481 0.640501
C 0.618573 -1.016622 -0.321472
C -3.234044 0.219665 -1.512824
C 3.084298 1.600886 -1.313123
C -0.848381 -2.508848 0.963481
C 1.085427 0.338337 -0.670113
C 1.195862 -2.144278 -0.935016
C -1.245636 2.742523 1.760062
C -2.524734 -1.046177 -1.993704
C 4.535844 1.339903 -0.953570
C 2.833780 1.810197 -2.795686
C -0.275488 -3.602535 0.321787
C 0.744902 -3.424247 -0.626919
C -1.950498 3.875411 1.040983
H -1.556933 1.365225 -0.909378
H -4.246733 -0.033079 -1.114665
H -3.413400 0.902367 -2.378971
H 2.629501 2.407798 -0.696318
H -1.625779 -2.645984 1.720640
H 2.005035 -1.996964 -1.655580
H -0.893519 3.041185 2.769464
H -0.399314 2.318200 1.185230
H -3.015797 -1.450718 -2.887123
H -2.541417 -1.846593 -1.241793
H -1.476428 -0.861979 -2.255743
H 5.163667 2.211321 -1.171039
H 4.643791 1.100267 0.113411
H 4.943911 0.484319 -1.508365
H 3.402778 2.663730 -3.182425
H 1.770005 2.006104 -2.992477
H 3.118399 0.929691 -3.384980
H -0.618282 -4.610765 0.564021
H 1.188667 -4.291325 -1.112818
H -1.355722 4.795553 1.067607
H -2.155888 3.645058 -0.013082
H -2.921871 4.091414 1.510715


%chk=000180686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180686

0 1
S -4.065457 -1.103919 1.346700
P -2.534361 0.231634 1.015250
O -0.825037 -0.203058 1.394288
O -2.601007 1.533660 2.147952
O 2.645222 0.157853 -0.936673
O 0.535538 1.113413 -0.806180
N -2.281670 0.747719 -0.592197
C -0.200053 -1.339521 0.861478
C 0.905564 -1.195758 -0.031489
C -3.305390 0.734662 -1.654200
C 3.164259 1.408148 -1.613127
C -0.591489 -2.621966 1.314113
C 1.298272 0.123946 -0.600445
C 1.627533 -2.360972 -0.413598
C -1.645656 2.682697 2.026441
C -2.882668 -0.151003 -2.843216
C 4.656255 1.448740 -1.279043
C 2.857782 1.320624 -3.114840
C 0.115032 -3.765640 0.890295
C 1.234110 -3.636575 0.032087
C -2.367203 3.889928 1.425046
H -1.301254 1.001490 -0.824158
H -4.246890 0.352533 -1.217885
H -3.496513 1.771686 -1.996288
H 2.623744 2.261319 -1.163803
H -1.441308 -2.698553 1.998902
H 2.490846 -2.243439 -1.074307
H -1.328223 2.868791 3.066498
H -0.762253 2.385422 1.432259
H -3.652428 -0.121434 -3.636440
H -2.753968 -1.196945 -2.514750
H -1.928035 0.197622 -3.279135
H 5.112367 2.356857 -1.712870
H 4.814331 1.465659 -0.187533
H 5.174948 0.566484 -1.693469
H 3.252225 2.216445 -3.628401
H 1.770668 1.274243 -3.294483
H 3.335275 0.429352 -3.559044
H -0.199553 -4.754690 1.240506
H 1.792491 -4.523235 -0.284656
H -1.700863 4.773697 1.436509
H -2.665295 3.689386 0.381515
H -3.272186 4.129501 2.009093


