%chk=000294065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294065

0 1
S -2.453239 -0.741355 1.458406
O -3.351718 -3.500375 0.478586
O -2.660695 -2.594119 -1.482226
O 1.250934 -3.972563 -0.665704
O 1.011989 0.458499 -0.887424
N -0.100598 -2.142186 -0.413669
N 2.706836 -1.032475 -1.188454
C -1.088939 -2.841285 0.425368
C -1.311307 -2.120068 1.753258
C -1.360373 0.711606 1.299756
C -2.419745 -2.913837 -0.347145
C 0.990853 -2.816109 -0.948092
C 1.851841 -1.984486 -1.915641
C -2.168608 1.713044 0.542256
C -1.840154 2.013654 -0.789814
C -3.253967 2.359682 1.155114
C 2.188268 0.166950 -0.701557
C 3.163293 1.042296 0.016948
C -2.595720 2.948355 -1.500762
C -4.005814 3.293082 0.436583
C -3.679563 3.588877 -0.890611
C 3.265364 2.384867 -0.372879
C 3.931907 0.551045 1.081059
C -4.698485 -3.633865 -0.052211
C 4.155086 3.232169 0.293579
C 4.815495 1.405268 1.745646
C 4.930105 2.742918 1.350001
H -0.732110 -3.901136 0.612346
H -1.809606 -2.800036 2.478924
H -0.362699 -1.797682 2.215336
H -0.315645 -1.169511 -0.685000
H -0.414691 0.458984 0.772743
H -1.076260 1.079697 2.303438
H 1.198416 -1.442184 -2.644776
H 2.484514 -2.685016 -2.510488
H 3.660711 -1.325909 -1.002233
H -0.990428 1.516857 -1.265932
H -3.515323 2.132169 2.187107
H -2.341178 3.175787 -2.534391
H -4.849235 3.789613 0.912636
H -4.267957 4.314059 -1.447926
H 2.644364 2.764265 -1.187236
H 3.834936 -0.486085 1.401643
H -5.147690 -2.638002 -0.128081
H -5.193194 -4.250478 0.704650
H -4.669408 -4.123896 -1.030595
H 4.239128 4.276081 -0.008060
H 5.413854 1.029543 2.575101
H 5.622056 3.405995 1.869825


%chk=000294065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294065

0 1
S -2.810213 -0.598766 0.756891
O -3.486328 -4.083876 0.141151
O -2.211509 -3.651742 -1.760263
O 1.211009 -4.299632 0.151848
O 0.946965 0.122251 -1.106033
N -0.199644 -2.468699 -0.199418
N 2.693586 -1.330219 -0.666667
C -1.332778 -3.065444 0.500955
C -1.983131 -2.122408 1.536135
C -1.524416 0.758602 1.215662
C -2.357601 -3.604790 -0.522831
C 0.975606 -3.169240 -0.376530
C 2.007867 -2.472489 -1.293705
C -1.965109 2.078222 0.629983
C -1.531265 2.467913 -0.665606
C -2.826137 2.940906 1.357056
C 2.132562 -0.067841 -0.657309
C 2.964583 1.051642 -0.098888
C -1.949939 3.699644 -1.216765
C -3.243594 4.172579 0.805589
C -2.805934 4.555482 -0.484166
C 2.298471 2.238484 0.302823
C 4.378747 0.975782 0.018313
C -4.548930 -4.649533 -0.727078
C 3.028967 3.320258 0.835530
C 5.108510 2.060734 0.549725
C 4.435130 3.233112 0.965688
H -0.933119 -3.950852 1.038708
H -2.776127 -2.658925 2.078116
H -1.221042 -1.769520 2.250809
H -0.315977 -1.570232 -0.689374
H -0.556596 0.437094 0.801242
H -1.482566 0.789084 2.317318
H 1.502119 -2.109017 -2.205567
H 2.757881 -3.230873 -1.566641
H 3.558062 -1.506889 -0.154291
H -0.868946 1.800768 -1.230023
H -3.171957 2.641081 2.353878
H -1.609203 3.990579 -2.216926
H -3.908039 4.830524 1.377213
H -3.129995 5.510193 -0.914002
H 1.212285 2.300858 0.183664
H 4.926247 0.095327 -0.339379
H -4.918343 -3.877101 -1.421746
H -5.337405 -4.970647 -0.032563
H -4.152629 -5.501160 -1.304879
H 2.503380 4.229542 1.145769
H 6.199150 1.997334 0.628437
H 5.002946 4.074601 1.377550


