%chk=000225707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225707

0 1
S -2.856936 0.473355 0.899328
O -2.263052 -0.207664 2.030655
O -4.123304 1.186527 1.111132
O 1.924095 -0.359541 0.506385
O 6.611786 -1.825843 1.396397
O 6.826952 -0.195394 -0.121674
N -3.222461 -0.670547 -0.340789
N 2.010963 1.865427 -0.070335
N -3.467723 2.988950 -0.756384
C -1.733267 1.543250 0.178054
C -4.512418 -1.407395 -0.189459
C -2.149056 -1.427178 -0.942784
C -2.136669 2.672238 -0.565730
C -0.362732 1.269991 0.347442
C 0.599559 2.090157 -0.236050
C -4.458512 -2.506757 0.868355
C -1.137113 3.501528 -1.175466
C 0.197203 3.208716 -1.018930
C -2.196183 -1.640022 -2.333112
C -1.067515 -1.908740 -0.186248
C -1.146740 -2.314927 -2.958883
C -0.016376 -2.562645 -0.832566
C 2.587914 0.633007 0.270533
C 4.107642 0.662878 0.318567
C -0.053140 -2.770887 -2.215092
C 4.642180 -0.635048 0.920469
C 6.102762 -0.798730 0.634900
H -5.301479 -0.657694 0.063171
H -4.785753 -1.838798 -1.178872
H -0.049964 0.398314 0.948710
H -5.430178 -3.000169 0.976753
H -4.179252 -2.116942 1.858429
H -3.719453 -3.278050 0.616445
H -1.444708 4.359251 -1.769124
H 0.951852 3.838672 -1.493391
H -3.038929 -1.268599 -2.911943
H -1.038162 -1.781885 0.901403
H 2.606600 2.665892 -0.274291
H -3.720330 3.861342 -1.187976
H -4.207155 2.536944 -0.195870
H -1.178502 -2.480913 -4.034702
H 0.839872 -2.902733 -0.248545
H 4.478250 1.532444 0.900382
H 4.515979 0.800035 -0.710486
H 0.766602 -3.284938 -2.710608
H 4.448175 -0.681824 2.016893
H 4.076909 -1.515516 0.519667
H 7.580170 -1.984739 1.231341


%chk=000225707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225707

0 1
S -2.838140 0.371435 1.037581
O -2.074820 -0.458300 2.217805
O -4.205031 1.200265 1.429301
O 2.147753 -0.310594 0.946612
O 7.110058 -1.030455 1.938705
O 6.788822 -0.764364 -0.343999
N -3.409193 -0.685455 -0.453291
N 2.102176 1.701476 -0.256321
N -3.435491 3.018888 -0.572963
C -1.621895 1.525094 0.202426
C -4.709442 -1.360885 -0.143738
C -2.344800 -1.461569 -1.057377
C -2.101611 2.669262 -0.503417
C -0.269283 1.168615 0.328496
C 0.702732 1.972022 -0.311038
C -4.653403 -2.597745 0.777205
C -1.084588 3.454397 -1.136163
C 0.269621 3.110065 -1.047449
C -2.189907 -1.323434 -2.461326
C -1.478133 -2.322190 -0.331213
C -1.197702 -2.062852 -3.140142
C -0.466261 -3.032182 -1.014501
C 2.750308 0.615145 0.322794
C 4.270867 0.603489 0.107602
C -0.330064 -2.915767 -2.417142
C 4.980794 -0.160827 1.237765
C 6.348338 -0.657148 0.823256
H -5.364751 -0.583256 0.289109
H -5.126699 -1.630544 -1.133687
H 0.031499 0.292813 0.909929
H -5.673170 -3.005067 0.905709
H -4.262449 -2.331424 1.775207
H -4.017804 -3.394212 0.352554
H -1.383074 4.348203 -1.695739
H 1.010263 3.743873 -1.552416
H -2.849893 -0.631986 -2.995407
H -1.576401 -2.402459 0.755900
H 2.699139 2.384703 -0.728361
H -3.715447 3.850255 -1.086011
H -4.110261 2.528786 0.030216
H -1.090062 -1.959632 -4.225751
H 0.216316 -3.674352 -0.447643
H 4.672822 1.630241 0.013560
H 4.486505 0.092528 -0.851803
H 0.452193 -3.475754 -2.941588
H 5.074789 0.441331 2.157818
H 4.356822 -1.035283 1.513555
H 7.986361 -1.390346 1.631482


