%chk=000214681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214681

0 1
S 0.673473 -2.145910 -0.566289
O -3.318019 2.052033 0.443572
O -3.125734 0.859993 -1.469071
N -0.036641 0.093466 0.548541
C -2.548736 -0.141226 0.727365
C -3.581767 -1.290357 0.757717
C -3.468956 -2.190841 -0.481384
C -2.087881 -2.871834 -0.573749
C -1.205565 -0.669510 0.325272
C -1.022199 -1.896612 -0.261136
C -2.998611 0.917669 -0.270954
C 1.039586 -0.531196 0.139431
C 2.430760 -0.103418 0.176260
C 2.856372 1.045302 -0.528809
C 3.354128 -0.855880 0.922536
C 4.212363 1.409054 -0.476114
C 1.889313 1.861741 -1.316144
C 4.696044 -0.478310 0.965955
C 5.123216 0.654605 0.263901
C -3.757231 3.209888 -0.314251
H -2.474668 0.331314 1.746756
H -4.605690 -0.878219 0.838306
H -3.418591 -1.888581 1.676449
H -3.634559 -1.576576 -1.394796
H -4.265676 -2.955912 -0.470061
H -1.953430 -3.304553 -1.588023
H -2.035184 -3.729435 0.132655
H 3.018410 -1.734358 1.475203
H 4.553979 2.290536 -1.016345
H 2.358204 2.706176 -1.834816
H 1.371447 1.257368 -2.076799
H 1.101617 2.275996 -0.662016
H 5.407886 -1.062162 1.545714
H 6.171707 0.949769 0.296708
H -4.496023 2.915900 -1.067002
H -2.882995 3.668378 -0.786324
H -4.189649 3.855701 0.456643


%chk=000214681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214681

0 1
S 0.680837 -2.433763 -0.260612
O -3.434472 2.114569 -0.166274
O -2.933418 0.575777 -1.840264
N 0.012844 0.090325 0.307375
C -2.501452 0.017026 0.551019
C -3.589937 -1.065795 0.845904
C -3.537517 -2.231636 -0.169480
C -2.182887 -2.988385 -0.098138
C -1.172396 -0.650117 0.275850
C -1.048378 -2.001543 -0.010329
C -2.943831 0.888571 -0.628752
C 1.097039 -0.632468 0.062894
C 2.497276 -0.186474 0.031289
C 2.854759 1.207342 0.042654
C 3.533511 -1.165493 -0.013685
C 4.233136 1.540934 0.006824
C 1.838113 2.330579 0.082261
C 4.891992 -0.806256 -0.050011
C 5.247829 0.561682 -0.038783
C -3.943794 3.035505 -1.212578
H -2.402227 0.685089 1.423985
H -4.590473 -0.595474 0.845038
H -3.414495 -1.453413 1.868566
H -3.678467 -1.833191 -1.190829
H -4.362266 -2.940654 0.030157
H -2.068525 -3.639342 -0.985300
H -2.166164 -3.657809 0.786753
H 3.266644 -2.228869 -0.008040
H 4.510139 2.601872 0.012558
H 2.344785 3.308935 0.014418
H 1.106506 2.246228 -0.740820
H 1.236467 2.298411 1.007078
H 5.663710 -1.582597 -0.081794
H 6.301047 0.862283 -0.065179
H -4.776088 2.566342 -1.764021
H -3.137560 3.286695 -1.921795
H -4.281586 3.925111 -0.663041


