%chk=000194849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194849

0 1
S -1.683997 -1.442682 -0.620616
P -1.178498 3.262586 1.418980
P -2.913950 2.182677 -0.802421
O 3.056266 1.400241 0.985827
O 3.606761 2.152360 -2.212755
O 1.831116 3.587144 -1.194404
O -0.108949 2.402519 2.259284
O -1.482145 2.397945 0.056779
O -0.230823 4.463285 0.804771
O -2.439525 3.678141 2.055671
O -2.711228 0.640841 -1.290025
O -4.001341 1.989405 0.385289
O -3.086396 3.210706 -1.824885
N 3.350842 -0.665260 -0.108627
N 3.914392 -2.865328 0.301906
N 0.880418 -0.981189 -0.433072
N 0.189020 -3.329853 -0.196941
N 1.721753 -5.081219 0.232189
N -6.459243 -3.237010 -1.108065
C 2.712157 1.400908 -1.418114
C 1.597083 2.248397 -0.752518
C 3.522658 0.794234 -0.228115
C 1.831663 2.153818 0.774327
C 0.716003 1.436289 1.539827
C 2.162795 -1.403086 -0.182015
C 4.384769 -1.621939 0.210119
C 2.530988 -2.773191 0.064337
C 1.488925 -3.748292 0.036053
C -0.029220 -1.997114 -0.404076
C -2.692254 -2.961877 -0.554837
C -4.115425 -2.503540 -0.833760
C -5.101961 -3.674289 -0.666469
H 2.309242 0.625820 -2.110810
H 0.578203 1.923198 -1.063333
H 4.612923 1.039356 -0.275022
H 2.059418 3.152607 1.223120
H 0.079393 0.777724 0.911265
H 1.136322 0.843855 2.383428
H 3.586551 3.119077 -1.968887
H 1.112445 4.184469 -0.865642
H 5.412894 -1.311467 0.340097
H 0.966861 -5.748151 0.213993
H 2.657579 -5.411984 0.417421
H -0.649850 5.356477 0.674328
H -2.331695 -3.697114 -1.299636
H -2.585169 -3.441243 0.436700
H -4.209090 -2.098340 -1.865480
H -4.407537 -1.667310 -0.162843
H -5.076704 -4.046691 0.380388
H -4.796353 -4.524042 -1.318552
H -2.475196 0.514936 -2.266185
H -3.984051 2.655806 1.165499
H -7.132725 -3.984076 -0.968418
H -6.778516 -2.442636 -0.561374


%chk=000194849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194849

0 1
S -1.695657 -1.500523 -1.321044
P -1.036423 4.013482 0.902929
P -3.213895 1.826790 0.506850
O 3.053507 1.239538 1.147623
O 3.980197 2.145745 -1.857034
O 1.790460 3.418253 -1.491092
O 0.416463 3.794871 1.737987
O -1.510571 2.448476 0.408193
O -0.425277 4.755806 -0.532470
O -2.210426 4.816848 1.618851
O -2.912228 0.244565 0.966386
O -3.763267 2.491850 1.966858
O -3.992650 2.131447 -0.832997
N 3.277922 -0.862423 0.024096
N 3.694702 -3.059217 0.569947
N 0.860290 -1.067583 -0.579897
N 0.059201 -3.379906 -0.363802
N 1.436414 -5.151341 0.381784
N -6.521073 -3.601429 -1.682738
C 2.933443 1.303682 -1.292272
C 1.798136 2.194500 -0.701660
C 3.553488 0.572592 -0.075559
C 2.242303 2.424509 0.770282
C 1.127285 2.472807 1.820159
C 2.067138 -1.545105 -0.154906
C 4.208621 -1.824839 0.468390
C 2.352534 -2.897130 0.181518
C 1.282008 -3.830417 0.072401
C -0.069165 -2.059403 -0.661213
C -2.765869 -3.059051 -1.113693
C -4.219366 -2.715799 -1.475170
C -5.139588 -3.948916 -1.308683
H 2.543817 0.600488 -2.049848
H 0.833928 1.656657 -0.751898
H 4.650546 0.690883 -0.122075
H 2.865363 3.338843 0.824021
H 0.412826 1.641256 1.693707
H 1.547440 2.471362 2.837169
H 3.521749 2.991818 -2.133223
H 1.006293 3.994457 -1.256358
H 5.237529 -1.553892 0.696654
H 0.646668 -5.786058 0.286327
H 2.341753 -5.488284 0.704355
H -1.078302 5.296869 -1.045149
H -2.334597 -3.823247 -1.778857
H -2.650505 -3.390785 -0.069613
H -4.298549 -2.364335 -2.519711
H -4.591528 -1.897735 -0.825349
H -5.030852 -4.338020 -0.265255
H -4.793343 -4.752318 -1.987482
H -2.498518 -0.350776 0.236228
H -3.552560 3.475014 2.063373
H -7.146194 -4.400098 -1.818424
H -6.944026 -2.868880 -1.104913


