%chk=000294735.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294735

0 1
S -0.606833 -0.112384 -0.456721
O -4.460725 1.562563 1.624617
O -4.931569 3.000425 -0.023738
O -6.756402 -0.909628 -1.596069
N -5.312571 -0.515125 0.119763
C 1.812797 -0.049116 0.593970
C 2.472469 -1.294649 0.505904
C 2.493213 1.137030 0.233909
C 3.834810 -1.354106 0.066132
C 3.854674 1.076126 -0.205332
C 4.517243 -0.170012 -0.286064
C 0.396779 0.016075 1.066573
C -3.203931 0.310658 -0.976333
C -2.309092 -0.050040 0.199515
C 1.811686 -2.535824 0.851512
C 1.851696 2.432679 0.295588
C -4.664056 0.607376 -0.575731
C 4.476151 -2.649300 -0.005056
C 4.518639 2.311317 -0.560148
C 5.940425 -0.218764 -0.747960
C 2.453310 -3.733808 0.767742
C 2.512460 3.572454 -0.049926
C 3.819564 -3.793359 0.330186
C 3.877922 3.511364 -0.486425
C -4.718709 1.861220 0.301427
C -6.366079 -1.222322 -0.486676
C -6.926408 -2.342232 0.338518
H 0.145138 -0.805428 1.765215
H 0.172766 0.961250 1.598665
H -2.802280 1.194571 -1.522965
H -3.210678 -0.515718 -1.722912
H -2.389215 0.692748 1.016493
H -2.575201 -1.033014 0.627754
H 0.770965 -2.489648 1.175814
H 0.810487 2.477327 0.618678
H -5.256359 0.836140 -1.521052
H 5.516107 -2.680471 -0.341738
H 5.554685 2.265140 -0.893855
H 6.593141 0.377049 -0.093424
H 6.355049 -1.238768 -0.761751
H 6.038923 0.173502 -1.771115
H 1.951223 -4.664981 1.024484
H 2.024793 4.545066 -0.007037
H 4.304771 -4.765541 0.273897
H 4.378393 4.439517 -0.755369
H -4.956015 -0.745273 1.042741
H -7.321523 -1.998748 1.304038
H -6.185771 -3.128943 0.535551
H -7.764270 -2.818923 -0.199638
H -4.515992 2.363132 2.212950


%chk=000294735-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294735

0 1
S -0.788292 0.108235 -0.859842
O -5.321726 1.818110 1.649242
O -4.941215 3.107952 -0.245975
O -5.949372 -1.777803 -1.465530
N -5.405430 -0.474570 0.373343
C 1.784459 -0.007368 0.353063
C 2.391758 -1.298852 0.271067
C 2.578856 1.159082 0.123156
C 3.836656 -1.425567 0.062657
C 4.018485 1.031827 -0.082746
C 4.644763 -0.254532 -0.080840
C 0.323466 0.126219 0.706227
C -3.553768 0.484049 -1.069540
C -2.452066 0.408075 -0.001377
C 1.603681 -2.504824 0.372022
C 1.994397 2.477831 0.071806
C -4.989110 0.654199 -0.468478
C 4.393204 -2.758632 0.006961
C 4.787584 2.236631 -0.287425
C 6.154640 -0.333504 -0.250182
C 2.183268 -3.765922 0.304361
C 2.770654 3.612351 -0.138542
C 3.600651 -3.893937 0.128098
C 4.189104 3.491676 -0.311199
C -5.086237 1.982986 0.270518
C -5.888343 -1.639059 -0.204677
C -6.333822 -2.726787 0.766132
H -0.018587 -0.698487 1.350664
H 0.116735 1.074629 1.226571
H -3.366288 1.333450 -1.751482
H -3.571942 -0.439854 -1.674311
H -2.371778 1.352907 0.567579
H -2.636058 -0.424851 0.700178
H 0.516391 -2.425158 0.459153
H 0.909318 2.586227 0.156674
H -5.677026 0.702215 -1.335952
H 5.467031 -2.888781 -0.148962
H 5.867728 2.160531 -0.440240
H 6.670243 0.309910 0.486280
H 6.547970 -1.350249 -0.116973
H 6.464946 0.010201 -1.255820
H 1.559497 -4.664163 0.368980
H 2.299265 4.600093 -0.187492
H 4.054760 -4.889472 0.074615
H 4.795371 4.389410 -0.475016
H -5.422271 -0.338543 1.385341
H -6.237108 -2.437801 1.826881
H -5.735796 -3.637174 0.587908
H -7.386736 -2.983844 0.558759
H -5.365310 2.709540 2.088965


