%chk=000286923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286923

0 1
S 0.646311 -1.403970 0.772776
O -0.018801 0.120918 1.107458
O 0.059663 -2.011706 -0.382796
O 0.623621 -2.107207 2.027886
O 2.082173 1.029920 -2.535156
O 0.516303 0.176287 -1.296120
N 1.679029 0.418034 -1.563569
C -4.481223 -0.287683 -1.026423
C -3.566661 0.154476 0.101934
C -2.194053 -0.125082 0.058825
C -4.454087 -1.814283 -1.166199
C -4.078630 0.402717 -2.335131
C -1.394611 0.301365 1.121883
C -4.097886 0.854073 1.198784
C 2.299226 -0.889612 0.486350
C -1.901505 0.999732 2.225775
C -3.270390 1.274097 2.244996
C 2.697400 -0.089369 -0.591518
C 3.267302 -1.322845 1.391532
C 4.033142 0.267003 -0.785819
C 4.615634 -0.971301 1.212967
C 4.997185 -0.182954 0.128415
H -5.532495 0.017576 -0.784555
H -1.755477 -0.653049 -0.794619
H -3.456721 -2.180256 -1.443306
H -5.151799 -2.154220 -1.938201
H -4.727295 -2.305753 -0.225736
H -4.081539 1.493191 -2.227732
H -4.764773 0.142797 -3.147591
H -3.069413 0.112283 -2.653950
H -5.162424 1.074014 1.237761
H -1.239827 1.313277 3.027489
H -3.697059 1.818112 3.087404
H 2.978629 -1.942078 2.255140
H 4.318420 0.890488 -1.641567
H 5.362431 -1.318859 1.930361
H 6.045201 0.090669 -0.014749


%chk=000286923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286923

0 1
S 0.784985 -1.390046 1.377369
O -0.157499 0.430279 1.255429
O 0.066256 -2.592313 0.555875
O 1.128843 -1.667930 2.945154
O 2.077546 -0.326176 -3.018725
O 0.473269 -0.634177 -1.430296
N 1.697604 -0.495021 -1.797588
C -4.489344 -0.060782 -1.175043
C -3.683795 0.203942 0.099278
C -2.271871 0.151690 0.091440
C -4.294140 -1.521729 -1.664363
C -4.135238 0.949487 -2.298233
C -1.535486 0.391492 1.287576
C -4.339055 0.490663 1.328329
C 2.480713 -0.841953 0.609691
C -2.207184 0.647260 2.521790
C -3.610628 0.713127 2.525820
C 2.744790 -0.520388 -0.740180
C 3.511391 -0.811824 1.564143
C 4.058685 -0.179773 -1.137418
C 4.822653 -0.463444 1.166534
C 5.094781 -0.150356 -0.183609
H -5.561808 0.072405 -0.926649
H -1.709871 -0.074518 -0.819803
H -3.237745 -1.713554 -1.927301
H -4.908876 -1.712436 -2.563418
H -4.583296 -2.248946 -0.884558
H -4.290108 1.991986 -1.966145
H -4.766568 0.771464 -3.188240
H -3.079485 0.844349 -2.609196
H -5.435194 0.531295 1.349567
H -1.611970 0.805215 3.426546
H -4.146291 0.928686 3.456581
H 3.274942 -1.065058 2.603525
H 4.232311 0.059209 -2.190189
H 5.622607 -0.440173 1.913112
H 6.109076 0.118853 -0.493806


