%chk=000298333.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298333

0 1
S -4.114022 2.694785 -0.676060
S 3.932823 3.679599 -0.602906
O 0.927630 -3.846862 -0.276601
N 0.536160 -1.615359 -0.369610
N -0.395914 -0.611692 -0.585699
N -1.311785 1.254483 -1.554938
N -2.166071 -1.026014 1.162310
N 5.065673 1.367154 0.387866
N -3.952943 0.641453 1.052512
C 1.464265 -1.369980 0.786320
C 2.743873 -0.701002 0.264853
C 3.740038 -0.481466 1.407397
C -1.585153 -0.353883 0.117969
C 5.105850 0.015038 0.908586
C 0.169913 -2.989288 -0.672253
C -2.145911 0.820378 -0.511959
C -0.277459 0.411472 -1.591275
C -3.371760 1.287562 0.019015
C -1.037803 -3.213141 -1.514823
C -3.334123 -0.477847 1.577603
C -5.617883 2.932221 0.282316
C 4.475431 2.317196 -0.027319
H 1.702285 -2.356914 1.256260
H 0.972833 -0.750956 1.568795
H 2.498136 0.263500 -0.223742
H 3.196037 -1.332162 -0.528301
H 3.320823 0.230431 2.148289
H 3.897775 -1.430328 1.963252
H 5.505446 -0.653641 0.104718
H 5.850675 0.003235 1.744739
H 0.569334 0.445870 -2.267246
H -1.965226 -3.016981 -0.948000
H -1.066858 -2.580975 -2.414345
H -1.083477 -4.263347 -1.850098
H -3.852805 -0.967418 2.419055
H -6.293069 2.068187 0.211583
H -6.133155 3.818266 -0.110384
H -5.405685 3.089726 1.349220


%chk=000298333-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298333

0 1
S -4.246601 2.782684 -0.705034
S 4.155571 3.438422 -1.248735
O 1.089961 -3.771822 -0.415929
N 0.427086 -1.579526 -0.138086
N -0.469547 -0.548038 -0.435379
N -1.333713 1.317447 -1.451216
N -2.280049 -0.995555 1.211794
N 5.096552 1.194660 0.221416
N -4.088869 0.653231 1.041295
C 1.450875 -1.332070 0.909362
C 2.779433 -0.792776 0.337384
C 3.813137 -0.545891 1.456945
C -1.695787 -0.297022 0.204636
C 5.184357 -0.054881 0.925172
C 0.269634 -2.861142 -0.715284
C -2.212648 0.864986 -0.444829
C -0.308030 0.457586 -1.415872
C -3.471925 1.326691 0.026652
C -0.905314 -3.048303 -1.661786
C -3.479504 -0.452345 1.575662
C -5.822760 2.864361 0.321567
C 4.666688 2.136179 -0.403039
H 1.623778 -2.300206 1.410887
H 1.018443 -0.627259 1.642572
H 2.593914 0.150733 -0.211627
H 3.177662 -1.527919 -0.387921
H 3.421085 0.194345 2.181544
H 3.996928 -1.484822 2.015896
H 5.614097 -0.815107 0.242188
H 5.892758 0.064129 1.766967
H 0.572098 0.490786 -2.054938
H -1.861618 -2.943596 -1.118627
H -0.901705 -2.311483 -2.483973
H -0.842924 -4.061660 -2.083298
H -4.017195 -0.954536 2.384674
H -6.404641 1.943086 0.183174
H -6.369183 3.740548 -0.060015
H -5.568144 2.987386 1.382903


