%chk=000189073.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189073

0 1
S 0.350582 -3.002940 -0.173398
S 4.434458 2.661363 0.744190
O 0.727139 -3.091153 1.469089
O 3.791475 3.160641 -0.738657
O -0.587498 -4.084502 -0.356961
O 1.614314 -3.024620 -0.865645
O 3.328696 2.637744 1.662084
O 5.529730 3.579398 0.947044
O -4.347769 2.029468 -0.296632
N -3.915594 -0.220091 -0.025532
N 8.267068 -0.588607 -0.192896
C 0.308940 -0.285397 -0.378350
C -0.423203 -1.471080 -0.244038
C 4.095934 0.016471 0.156157
C -2.491107 -0.203885 -0.143416
C 4.983542 1.080358 0.343562
C -1.818548 -1.437381 -0.130219
C 1.769685 -0.331299 -0.552539
C -0.371232 0.949248 -0.376482
C 2.640945 0.168949 0.330454
C -1.753324 0.997544 -0.261498
C 4.610831 -1.253799 -0.193588
C 6.362734 0.899952 0.192957
C 6.869583 -0.367786 -0.146109
C 5.974262 -1.449282 -0.343703
C -4.766410 0.907633 -0.100472
C -6.212885 0.557282 0.072023
C -7.100435 0.821031 -0.979261
C -6.676741 0.017970 1.278932
C -8.458244 0.526947 -0.824592
C -8.036332 -0.268674 1.427634
C -8.925172 -0.017782 0.376216
H -2.378089 -2.374997 -0.037788
H 2.103516 -0.842794 -1.468996
H 0.203513 1.876127 -0.464206
H 2.316694 0.692714 1.243926
H -2.274419 1.966308 -0.263292
H 3.913136 -2.089924 -0.345673
H 7.047895 1.739883 0.350166
H -4.342355 -1.142645 0.097526
H 6.358360 -2.435804 -0.603422
H 8.843018 0.227794 -0.346121
H 8.574647 -1.376624 -0.745179
H 0.718139 -3.976611 1.860416
H -6.733523 1.261046 -1.908083
H -5.986225 -0.164980 2.102424
H 3.923557 4.094208 -0.959664
H -9.153163 0.728409 -1.639444
H -8.404427 -0.684375 2.365102
H -9.985094 -0.243458 0.495155


%chk=000189073-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189073

0 1
S 0.063223 -3.496461 -0.106578
S 4.467599 3.011074 0.181266
O 0.601892 -3.567551 1.673422
O 3.871140 3.135511 -1.577107
O -1.208550 -4.478006 -0.311867
O 1.382363 -3.733869 -1.018811
O 3.176744 3.202622 1.142413
O 5.738311 3.993587 0.381586
O -4.309296 2.050830 -0.019466
N -3.951176 -0.268832 0.003298
N 8.453025 -0.290568 -0.089299
C 0.358706 -0.606470 -0.013419
C -0.541529 -1.707391 -0.054245
C 4.168850 0.130575 -0.020111
C -2.537517 -0.330994 -0.001796
C 5.076133 1.223269 0.047584
C -1.937856 -1.613785 -0.047034
C 1.814475 -0.757086 -0.026105
C -0.298838 0.665380 0.040325
C 2.713613 0.280031 0.002562
C -1.691363 0.815601 0.046409
C 4.820091 -1.142798 -0.123724
C 6.471722 1.135986 0.025430
C 7.073056 -0.149525 -0.069424
C 6.210171 -1.286294 -0.149153
C -4.770137 0.869753 0.029812
C -6.248893 0.593998 0.099358
C -7.118670 1.634447 -0.318421
C -6.803967 -0.620652 0.585222
C -8.516120 1.456621 -0.277501
C -8.204146 -0.795646 0.629506
C -9.063323 0.238755 0.191776
H -2.537716 -2.531300 -0.081037
H 2.185815 -1.784456 -0.078796
H 0.315171 1.569540 0.085815
H 2.340847 1.306854 0.060636
H -2.147627 1.806105 0.081966
H 4.202487 -2.042665 -0.199057
H 7.075655 2.048152 0.085741
H -4.430941 -1.169603 -0.056052
H 6.647540 -2.287917 -0.234312
H 9.063603 0.520346 -0.038144
H 8.881315 -1.209413 -0.159903
H 0.972541 -4.484242 1.835037
H -6.673049 2.572645 -0.664324
H -6.164485 -1.422064 0.976973
H 3.480940 4.050851 -1.694371
H -9.178250 2.263861 -0.608215
H -8.623553 -1.730973 1.015221
H -10.149420 0.100164 0.226115


