%chk=000209340.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209340

0 1
S 0.058298 1.059554 0.054391
O 0.317629 1.873372 -1.129840
O 0.315482 1.693508 1.344261
N 3.303696 0.463446 0.012872
N 0.995096 -0.341431 -0.046452
C 4.448068 -1.648727 -0.140313
C 4.671076 -0.124108 -0.029021
C 2.924776 -1.864950 -0.156344
C 2.290558 -0.484129 -0.056324
C 3.123174 1.919476 0.118932
C -1.553795 0.452141 0.008626
C -2.208091 0.113804 1.197673
C -2.209337 0.299750 -1.217560
C -4.174151 -0.536893 -0.066189
C -3.513402 -0.378306 1.164356
C -3.514630 -0.191736 -1.258645
C -5.575328 -1.050322 -0.105111
H 4.914645 -2.179658 0.707332
H 4.914882 -2.050947 -1.055950
H 5.231806 0.145516 0.890028
H 5.232996 0.275906 -0.898517
H 2.581779 -2.499589 0.683466
H 2.582195 -2.371709 -1.079148
H 4.089390 2.441370 0.157847
H 2.553450 2.182734 1.038368
H 2.554966 2.313346 -0.753563
H -1.698942 0.243779 2.159370
H -1.701029 0.575464 -2.148524
H -4.018436 -0.636861 2.092300
H -4.020651 -0.305232 -2.214707
H -5.796580 -1.598127 -1.031405
H -5.797690 -1.729143 0.729630
H -6.293998 -0.217997 -0.043639


%chk=000209340-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209340

0 1
S 0.104470 1.146640 0.063483
O 0.303543 2.071601 -1.278272
O 0.309475 1.839647 1.537588
N 3.350078 0.442443 0.010463
N 1.025025 -0.476344 -0.072556
C 4.531313 -1.663614 -0.145519
C 4.722085 -0.123874 -0.026788
C 2.993532 -1.895160 -0.187049
C 2.362854 -0.502585 -0.070880
C 3.174773 1.904595 0.129094
C -1.636205 0.441661 0.010461
C -2.263077 0.126764 1.225023
C -2.256217 0.290548 -1.238620
C -4.252565 -0.558378 -0.063433
C -3.581238 -0.377838 1.174822
C -3.574329 -0.216114 -1.263244
C -5.680608 -1.072870 -0.101614
H 4.987426 -2.180435 0.714366
H 5.015927 -2.047517 -1.057817
H 5.266249 0.162165 0.893842
H 5.274577 0.299543 -0.887576
H 2.630120 -2.525290 0.641170
H 2.654295 -2.365812 -1.124484
H 4.171196 2.373488 0.158038
H 2.619935 2.162203 1.049467
H 2.606178 2.304480 -0.730156
H -1.741035 0.289361 2.173269
H -1.729492 0.577164 -2.154296
H -4.094320 -0.633628 2.109206
H -4.081921 -0.345886 -2.226178
H -5.888295 -1.624765 -1.034879
H -5.893244 -1.743868 0.748835
H -6.402606 -0.235026 -0.047568


