%chk=000186064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186064

0 1
S 0.499208 -2.717851 2.633754
O 1.195956 -0.444620 -1.237167
O -2.239964 0.930489 0.519684
O -1.202438 1.225772 -2.528047
O -1.329904 -2.097865 0.320220
O 1.678191 -0.723604 0.978041
O 1.290496 3.134160 -0.333927
O -4.153070 -0.131612 -0.068204
O -1.338985 3.486062 -2.548121
O -1.919982 -2.049920 2.516449
O 2.264008 3.422153 -2.353914
N 2.566643 -1.710069 1.379501
C -1.454933 0.157501 -0.438338
C -0.643786 1.228236 -1.176902
C -0.644500 -0.823765 0.420825
C 0.860225 0.951210 -1.333224
C 0.759613 -1.157259 -0.107514
C 1.698469 1.746759 -0.315556
C -3.593668 0.649610 0.659373
C -1.532673 2.434428 -3.112367
C -1.877893 -2.659333 1.476525
C -4.117917 1.458813 1.788384
C -2.110195 2.167764 -4.453946
C 1.600445 3.890430 -1.460231
C -2.395871 -4.005377 1.120863
C 2.112985 -2.694822 2.265446
C 3.880057 -1.562637 0.942918
C 0.968448 5.222978 -1.322860
C 3.130666 -3.584094 2.741436
C 4.820335 -2.444459 1.418613
C 4.435065 -3.467107 2.337417
H -2.139869 -0.393079 -1.138801
H -0.814767 2.241113 -0.710228
H -0.612058 -0.480940 1.496440
H 1.189392 1.169102 -2.386426
H 0.893913 -2.224958 -0.388376
H 2.776893 1.669623 -0.537678
H 1.500156 1.454951 0.736722
H -3.497124 2.345914 1.996807
H -4.129505 0.857537 2.716041
H -5.149128 1.791422 1.595885
H -1.513828 2.656014 -5.242447
H -2.156136 1.090039 -4.688435
H -3.135432 2.567201 -4.525891
H -3.450552 -4.110132 1.420693
H -1.822243 -4.788078 1.647508
H -2.327473 -4.213697 0.040741
H 4.092554 -0.748267 0.240957
H 2.812416 -4.358076 3.447971
H 5.859472 -2.367814 1.101560
H 1.539756 5.998901 -1.852429
H -0.050447 5.193773 -1.769212
H 0.840355 5.529982 -0.273445
H 5.201025 -4.151803 2.709010


%chk=000186064-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186064

0 1
S 1.013659 -4.202284 1.846531
O 1.080330 -0.522503 -0.911389
O -2.808626 0.644574 0.134574
O -1.204694 1.167391 -2.513900
O -1.651766 -1.764041 1.189342
O 1.417712 -1.166013 1.416027
O 1.115171 3.159575 0.032315
O -4.158196 -0.775320 -1.154474
O -0.717295 3.441956 -2.687873
O -1.561708 -0.940313 3.379947
O 2.826113 3.367011 -1.537864
N 2.585432 -1.997065 1.244803
C -1.581490 0.042776 -0.429886
C -0.761867 1.163754 -1.087918
C -0.824460 -0.644013 0.720066
C 0.766775 0.929087 -0.998103
C 0.508428 -1.228457 0.206340
C 1.440741 1.721069 0.153113
C -4.052316 0.120648 -0.295517
C -1.140520 2.385143 -3.207215
C -1.892065 -1.843377 2.587896
C -5.171085 0.819170 0.440943
C -1.630809 2.206100 -4.624229
C 1.884710 3.890270 -0.902737
C -2.560747 -3.153316 2.908849
C 2.486670 -3.393611 1.477528
C 3.747488 -1.309720 0.954348
C 1.379924 5.304295 -1.004913
C 3.763410 -4.066964 1.369642
C 4.953330 -1.986791 0.862900
C 4.951844 -3.404183 1.076080
H -1.866399 -0.706649 -1.191940
H -1.002333 2.146723 -0.643478
H -0.658518 0.048039 1.568489
H 1.237964 1.234893 -1.945498
H 0.412337 -2.285137 -0.089909
H 2.533937 1.585794 0.086438
H 1.076691 1.440151 1.151533
H -5.099764 1.910801 0.297017
H -5.084273 0.627163 1.524580
H -6.141252 0.454369 0.075095
H -0.888006 1.629547 -5.204302
H -2.572792 1.633857 -4.637640
H -1.771737 3.189201 -5.095773
H -3.036137 -3.102664 3.899178
H -1.780371 -3.936804 2.919499
H -3.294995 -3.423064 2.133142
H 3.634274 -0.235164 0.815513
H 3.739079 -5.145689 1.541826
H 5.865670 -1.433861 0.630808
H 2.141916 5.942921 -1.474866
H 0.473110 5.291401 -1.636148
H 1.101694 5.697544 -0.014187
H 5.888211 -3.967522 1.011492


