%chk=000179938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179938

0 1
S -0.244181 3.970917 1.128617
P -0.141535 2.221709 0.090633
O -1.324072 1.408736 0.936554
O 1.221273 1.601338 0.823989
O -0.189368 2.159528 -1.382544
O -3.603085 -3.943230 -1.447051
O 4.040159 -3.401751 -1.732390
O -4.009132 -4.212463 0.661013
O 4.645286 -3.588204 0.336417
N -3.569960 -3.576553 -0.283557
N 4.047298 -3.030609 -0.569777
C 0.009542 5.288689 -0.206228
C 0.030781 6.557204 0.617577
C -1.111085 5.225317 -1.212829
C -1.808783 0.183846 0.532906
C 1.841658 0.452521 0.386409
C -1.858746 -0.261432 -0.796157
C 1.849387 0.003898 -0.942751
C -2.323826 -0.575071 1.603911
C 2.542162 -0.214781 1.412251
C -2.955450 -2.268146 0.001864
C 3.278487 -1.819159 -0.235753
C -2.438685 -1.501225 -1.056084
C 2.576471 -1.144174 -1.248860
C -2.902476 -1.806593 1.332268
C 3.265973 -1.355187 1.094830
H 1.000859 5.104873 -0.684493
H 0.214408 7.433062 -0.024996
H 0.824435 6.560510 1.379483
H -0.920568 6.750495 1.135468
H -1.102895 6.112324 -1.865875
H -1.034517 4.356554 -1.890684
H -2.108519 5.193927 -0.752398
H -1.476940 0.341565 -1.629573
H 1.321626 0.539017 -1.742040
H -2.265199 -0.178714 2.618779
H 2.508426 0.180333 2.428655
H -2.499272 -1.883797 -2.083300
H 2.609505 -1.525402 -2.277762
H -3.316500 -2.426423 2.137484
H 3.825856 -1.901648 1.864090


%chk=000179938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179938

0 1
S -0.419954 4.126406 1.267725
P -0.234237 2.194186 0.177173
O -1.509862 1.310437 0.996950
O 1.206877 1.526699 0.940079
O -0.238125 2.160168 -1.416536
O -3.888019 -4.062239 -1.545137
O 4.547760 -3.146837 -1.889580
O -4.337756 -4.380471 0.669824
O 5.017407 -3.531688 0.310621
N -3.853403 -3.689528 -0.308703
N 4.429450 -2.872750 -0.632645
C -0.053310 5.322949 -0.234304
C 0.337944 6.655512 0.426994
C -1.270044 5.417079 -1.161851
C -2.037328 0.058290 0.598704
C 1.951802 0.416402 0.471962
C -2.093648 -0.369766 -0.751321
C 2.103516 0.099558 -0.901494
C -2.570238 -0.725020 1.650078
C 2.604408 -0.330252 1.482417
C -3.220717 -2.388728 0.007360
C 3.567819 -1.731707 -0.248426
C -2.689290 -1.610621 -1.044336
C 2.918195 -0.990604 -1.259755
C -3.172061 -1.959500 1.353277
C 3.423874 -1.412842 1.121084
H 0.811415 4.876572 -0.754264
H 0.573976 7.388216 -0.367112
H 1.224226 6.551440 1.075449
H -0.493706 7.068879 1.025905
H -1.046923 6.132034 -1.977620
H -1.505011 4.443524 -1.623513
H -2.158109 5.782338 -0.617177
H -1.690596 0.258604 -1.550893
H 1.600839 0.697310 -1.667006
H -2.506953 -0.351201 2.675248
H 2.461587 -0.045624 2.528111
H -2.756063 -1.980005 -2.070863
H 3.064136 -1.270207 -2.306320
H -3.596143 -2.592840 2.136430
H 3.945061 -2.012372 1.871560


