%chk=000225912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225912

0 1
S 0.247522 -1.417009 -1.243060
S -1.152922 0.121935 1.082864
O -0.742421 -2.358068 -0.767752
O 0.306829 -1.117253 -2.657297
O -0.593226 -0.928588 1.897745
O -1.155719 1.511053 1.485997
O 2.468443 2.507943 1.658755
O 1.204569 0.756002 1.663680
N -0.217571 0.061959 -0.425420
N 1.633003 1.781298 1.148164
C 0.286784 1.293551 -0.942967
C 1.816363 -1.770444 -0.660407
C -2.743105 -0.290557 0.579532
C 1.144813 2.137645 -0.194412
C -0.067668 1.682007 -2.253038
C 2.059508 -1.924076 0.709108
C -3.125253 -1.628925 0.439732
C 2.866220 -1.924600 -1.580434
C -3.671390 0.733087 0.337022
C 1.570578 3.369829 -0.732553
C 0.378647 2.889844 -2.777848
C 1.190102 3.744363 -2.014369
C 3.349267 -2.234747 1.157473
C -4.433909 -1.944232 0.053539
C 4.148864 -2.234669 -1.132868
C -4.974248 0.418794 -0.048372
C 4.389840 -2.390560 0.240499
C -5.354417 -0.923329 -0.191151
H -0.682326 1.010166 -2.864767
H 1.249032 -1.786547 1.450549
H -2.398996 -2.437905 0.618825
H 2.677721 -1.798382 -2.653266
H -3.375676 1.781666 0.460330
H 2.210853 4.020195 -0.123320
H 0.091911 3.177817 -3.791792
H 1.521020 4.696269 -2.428163
H 3.533704 -2.345320 2.226723
H -4.725520 -2.987699 -0.060148
H 4.963138 -2.354723 -1.845562
H -5.695278 1.212372 -0.235826
H 5.395043 -2.631466 0.590264
H -6.373425 -1.168292 -0.494010


%chk=000225912-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225912

0 1
S 0.668460 -1.515365 -1.393429
S -1.090420 0.091148 1.008192
O -0.438259 -2.683745 -1.182838
O 1.123532 -1.066296 -2.891246
O -0.475814 -1.219838 1.736867
O -0.978553 1.570390 1.682171
O 2.289555 2.821102 1.326354
O 1.855691 0.633249 0.865000
N -0.433278 0.162958 -0.856883
N 1.752533 1.896770 0.612200
C 0.102953 1.411185 -1.281485
C 2.249861 -1.986666 -0.452435
C -2.908283 -0.225152 0.595799
C 1.024350 2.291002 -0.618832
C -0.409480 1.840706 -2.541719
C 2.130418 -2.590068 0.807592
C -3.242666 -1.440833 -0.022112
C 3.462365 -1.734386 -1.114267
C -3.829005 0.764994 0.970958
C 1.347038 3.553267 -1.154088
C -0.054540 3.084519 -3.100044
C 0.809799 3.953431 -2.395222
C 3.332024 -2.985865 1.439109
C -4.615472 -1.674376 -0.268152
C 4.646809 -2.140266 -0.458209
C -5.195857 0.504413 0.714432
C 4.580060 -2.761107 0.811403
C -5.584265 -0.709242 0.100023
H -1.104433 1.166216 -3.049012
H 1.156229 -2.716414 1.287234
H -2.469586 -2.160186 -0.317956
H 3.474956 -1.262586 -2.101286
H -3.490056 1.689291 1.449421
H 2.031469 4.195507 -0.592990
H -0.460700 3.376603 -4.073589
H 1.073900 4.930859 -2.810806
H 3.286858 -3.454488 2.427277
H -4.922164 -2.607501 -0.751553
H 5.614586 -1.970657 -0.941386
H -5.949073 1.246901 0.997328
H 5.503775 -3.065921 1.314977
H -6.644612 -0.903150 -0.094798


