%chk=000227987.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227987

0 1
S -1.298658 -1.326572 -0.463763
O -0.116115 -0.232938 0.074055
O -1.214805 -2.490882 0.374007
O -1.089790 -1.421198 -1.891325
C 1.149091 -0.207531 -0.625095
C 1.772566 1.139352 -0.317314
C 2.019834 -1.343182 -0.130371
C -2.699860 -0.412868 -0.091769
C 2.829329 1.595260 -1.119922
C 2.179981 -1.563803 1.244350
C 1.315233 1.922117 0.749932
C 2.676652 -2.168055 -1.053732
C -3.190405 0.526031 -1.008136
C -3.356986 -0.603366 1.130546
C -4.987457 1.087700 0.522760
C 3.421279 2.831882 -0.852005
C 2.997349 -2.604430 1.693440
C 1.909425 3.160334 1.010860
C 3.496947 -3.204947 -0.599863
C -4.327986 1.272803 -0.705754
C -4.494635 0.140791 1.438685
C 2.962085 3.616465 0.211793
C 3.658442 -3.423523 0.772231
C -6.211467 1.876500 0.843790
H 0.935576 -0.294899 -1.723208
H 3.194064 0.985773 -1.944833
H 1.653902 -0.924962 1.954374
H 0.491474 1.558638 1.366944
H 2.543540 -2.012343 -2.123409
H -2.684517 0.671205 -1.969724
H -2.980386 -1.344892 1.845717
H 4.242929 3.184704 -1.472719
H 3.115533 -2.779143 2.761095
H 1.551813 3.768328 1.839649
H 4.005145 -3.846864 -1.316878
H -4.705515 1.999667 -1.422930
H -5.002051 -0.013436 2.389413
H 3.425136 4.579249 0.417109
H 4.294247 -4.234170 1.122910
H -6.337967 2.039939 1.923415
H -6.211645 2.867909 0.368886
H -7.114728 1.352655 0.491390


%chk=000227987-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227987

0 1
S -1.294696 -1.368302 -0.496259
O -0.052932 -0.184690 0.276628
O -1.343192 -2.755880 0.330050
O -1.005636 -1.367211 -2.097397
C 1.249702 -0.156850 -0.462830
C 1.857000 1.219505 -0.193025
C 2.135922 -1.329917 -0.051098
C -2.836329 -0.376931 -0.116212
C 2.898755 1.678808 -1.037966
C 2.836094 -1.325698 1.181442
C 1.429298 2.031886 0.884284
C 2.241389 -2.456145 -0.904479
C -3.210598 0.645058 -1.002983
C -3.565284 -0.717919 1.033376
C -5.168779 1.062066 0.440751
C 3.506332 2.931910 -0.807470
C 3.623953 -2.434072 1.556532
C 2.036352 3.288596 1.112076
C 3.034268 -3.564407 -0.531913
C -4.390210 1.362123 -0.709681
C -4.739945 0.017890 1.302536
C 3.076661 3.742477 0.270013
C 3.726886 -3.556350 0.699861
C -6.451026 1.821790 0.724306
H 1.016853 -0.247472 -1.544499
H 3.239906 1.051990 -1.870950
H 2.766043 -0.452309 1.839666
H 0.615212 1.681037 1.525450
H 1.689104 -2.470571 -1.852248
H -2.611705 0.862997 -1.892642
H -3.231647 -1.533434 1.682641
H 4.310644 3.276261 -1.467282
H 4.161247 -2.424273 2.511663
H 1.696070 3.911936 1.946896
H 3.106021 -4.432503 -1.196454
H -4.708210 2.165695 -1.383447
H -5.329459 -0.223899 2.194051
H 3.546475 4.716322 0.448232
H 4.341157 -4.415880 0.991416
H -6.676821 1.849146 1.804113
H -6.397402 2.861145 0.357033
H -7.310874 1.339369 0.220418


