%chk=000233520.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233520

0 1
S 7.137337 -0.200517 -0.263475
S -7.137360 -0.201568 0.261287
O 1.463423 1.168694 -0.753472
O -1.463504 1.166381 0.755422
O 7.553876 -0.716490 -1.556125
O 7.889619 0.870389 0.363377
O -7.553917 -0.721321 1.552417
O -7.889667 0.871130 -0.362460
N 7.169931 -1.465752 0.906933
N -7.169870 -1.463387 -0.912807
C 5.469536 0.214481 -0.358407
C -5.469577 0.213214 0.357478
C 2.786695 0.895900 -0.528978
C -2.786767 0.894226 0.530113
C 4.735914 -0.116256 -1.510862
C -4.735999 -0.120782 1.509021
C 4.851953 0.891205 0.696643
C -4.851967 0.892964 -0.695608
C 0.709196 1.872778 0.282219
C -0.709310 1.873585 -0.278162
C 6.965831 -2.860563 0.441475
C -6.965674 -2.859537 -0.451420
C 3.392618 0.215899 -1.609758
C -3.392719 0.211134 1.608926
C 3.500938 1.240700 0.627677
C -3.500968 1.242305 -0.625583
C 8.153682 -3.434582 -0.327991
C -8.153490 -3.435887 0.316356
H 7.919685 -1.404578 1.609886
H -7.919629 -1.400213 -1.615578
H 5.233060 -0.635911 -2.341613
H -5.233166 -0.642820 2.338264
H 5.428086 1.160234 1.589948
H -5.428066 1.164518 -1.588172
H 1.134552 2.883905 0.396336
H 0.768575 1.307037 1.234432
H -1.134716 2.885028 -0.389254
H -0.768665 1.310689 -1.232061
H 6.752011 -3.486680 1.339354
H 6.047710 -2.897848 -0.188036
H -6.751802 -3.483013 -1.351123
H -6.047555 -2.898594 0.177986
H 2.802981 -0.028600 -2.490719
H -2.803116 -0.035849 2.489217
H 3.036335 1.765135 1.455263
H -3.036342 1.769117 -1.451645
H 8.360293 -2.848377 -1.241710
H 9.073217 -3.438382 0.265843
H 7.963047 -4.464968 -0.645749
H -8.360164 -2.852358 1.231772
H -9.073015 -3.438038 -0.277502
H -7.962775 -4.467176 0.631123


%chk=000233520-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233520

0 1
S 7.210064 -0.456642 -0.552981
S -7.210313 -0.457739 0.549710
O 1.313846 0.870147 -0.688410
O -1.314273 0.869315 0.689172
O 7.622233 -1.004355 -2.031962
O 7.986440 0.800885 0.148574
O -7.622367 -1.009182 2.027362
O -7.986865 0.801256 -0.149003
N 7.264244 -1.983844 0.572189
N -7.264194 -1.982051 -0.579449
C 5.382141 -0.045108 -0.555023
C -5.382494 -0.045852 0.553181
C 2.685721 0.620589 -0.590502
C -2.686111 0.619864 0.590527
C 4.516183 -0.806062 -1.363712
C -4.516937 -0.807386 1.361747
C 4.951686 1.036170 0.225665
C -4.951680 1.036073 -0.226413
C 0.750360 1.965296 0.115925
C -0.750673 1.965484 -0.113679
C 8.323456 -2.946204 0.144440
C -8.322215 -2.946456 -0.153364
C 3.153617 -0.465317 -1.378079
C -3.154384 -0.466624 1.377068
C 3.581364 1.377083 0.209040
C -3.581375 1.376999 -0.208833
C 9.773758 -2.532663 0.464152
C -9.773074 -2.533718 -0.471543
H 7.460107 -1.580109 1.511826
H -7.461234 -1.575939 -1.517815
H 4.901411 -1.627968 -1.974338
H -4.902529 -1.629706 1.971592
H 5.675831 1.611600 0.811694
H -5.675520 1.612029 -0.812299
H 1.182280 2.932309 -0.214012
H 0.969405 1.809623 1.190242
H -1.182591 2.932086 0.217458
H -0.969653 1.811190 -1.188210
H 8.058446 -3.899586 0.642276
H 8.194058 -3.098719 -0.942383
H -8.056446 -3.898472 -0.653403
H -8.192232 -3.101238 0.933072
H 2.434980 -1.021421 -1.986377
H -2.436052 -1.023160 1.985330
H 3.235852 2.222033 0.810334
H -3.235578 2.222452 -0.809264
H 10.043035 -1.603853 -0.069155
H 9.917050 -2.363632 1.548020
H 10.477574 -3.323785 0.147013
H -10.043089 -1.606348 0.063896
H -9.917020 -2.362491 -1.554980
H -10.475940 -3.326251 -0.155820


