%chk=000295694.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295694

0 1
S 0.916601 -4.033963 -0.944551
O 4.090694 1.576187 0.101469
O -5.636947 0.130727 0.358377
O 2.049544 2.496044 0.379938
N -0.095253 0.799877 0.205350
N 0.422535 -1.469337 -0.327169
N 2.742139 -2.163057 -0.629253
C -1.523558 0.608106 0.211147
C 0.839807 -0.163349 -0.070518
C 2.242678 0.151021 -0.094690
C -2.316039 1.616004 -0.362786
C -2.118372 -0.521103 0.811972
C -4.287327 0.382383 0.258294
C -3.708361 1.509824 -0.337858
C -3.500935 -0.638214 0.835428
C 3.145739 -0.905672 -0.377717
C 2.722575 1.499709 0.151702
C 1.376582 -2.382727 -0.594999
C 4.683230 2.905772 0.337424
C 6.169755 2.657650 0.212281
C -6.550934 1.105871 -0.199195
C -0.879647 -4.020585 -0.845134
H 0.241300 1.775336 0.362729
H -1.853018 2.485200 -0.831865
H -1.493741 -1.302624 1.251662
H -4.314966 2.293568 -0.780403
H -3.991456 -1.496800 1.290707
H 4.230834 -0.709582 -0.400031
H 4.279586 3.590677 -0.427900
H 4.369446 3.235635 1.342710
H 6.740357 3.581193 0.368871
H 6.517663 1.917031 0.946138
H 6.430391 2.263457 -0.780019
H -6.398127 1.197611 -1.278235
H -6.443188 2.065651 0.313944
H -7.525165 0.649644 0.022111
H -1.232954 -3.867681 0.182708
H -1.245366 -4.989762 -1.207764
H -1.324606 -3.224423 -1.461275


%chk=000295694-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295694

0 1
S 1.203150 -4.397795 -0.464860
O 4.039326 1.590678 0.048953
O -5.771222 0.368008 -0.025713
O 1.850259 2.380040 0.126195
N -0.110430 0.545573 -0.030251
N 0.545166 -1.743450 -0.235309
N 2.913404 -2.360671 -0.296279
C -1.528553 0.448563 -0.033115
C 0.868149 -0.408818 -0.118865
C 2.267300 -0.006006 -0.088033
C -2.244057 1.668454 0.092208
C -2.259061 -0.766810 -0.152811
C -4.371129 0.475659 -0.019888
C -3.653085 1.691597 0.099811
C -3.663639 -0.745297 -0.145372
C 3.227919 -1.044983 -0.182871
C 2.663844 1.400495 0.036110
C 1.563439 -2.629145 -0.314873
C 4.511042 3.005978 0.173379
C 6.034841 2.959059 0.164437
C -6.543256 1.606143 0.095980
C -0.674921 -4.389586 -0.456507
H 0.288111 1.503621 0.054784
H -1.692548 2.612149 0.185360
H -1.711078 -1.703147 -0.249760
H -4.170055 2.650276 0.198909
H -4.237494 -1.672715 -0.237137
H 4.292439 -0.795381 -0.164537
H 4.097088 3.583505 -0.672616
H 4.102660 3.424958 1.110589
H 6.438121 3.984132 0.254286
H 6.417011 2.360759 1.008900
H 6.411389 2.519109 -0.774587
H -6.335381 2.295239 -0.745974
H -6.334887 2.119328 1.055296
H -7.596922 1.292322 0.065863
H -1.041734 -3.947333 0.480748
H -0.973089 -5.447117 -0.528893
H -1.050625 -3.822091 -1.319959


