%chk=000294064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294064

0 1
S -1.688820 -1.763703 -1.221246
O -4.940678 -0.152239 -0.678669
O -1.312995 2.973820 0.313817
O -3.974614 -0.830617 1.257803
O 0.577243 -0.752111 0.971268
N -1.730284 0.755357 0.713488
N 1.340720 1.378431 1.266104
C -2.747770 0.616813 -0.343814
C -2.177149 -0.056708 -1.592252
C 0.108110 1.843214 1.926843
C -1.036197 1.943145 0.900161
C -3.900815 -0.224652 0.221140
C 1.475593 0.067414 0.810356
C 2.780484 -0.243237 0.151472
C 3.229037 0.501532 -0.947804
C 3.530822 -1.325075 0.632148
C 4.440951 0.167913 -1.557802
C 4.744721 -1.649301 0.019765
C 5.199644 -0.903435 -1.072482
C -6.129690 -0.927004 -0.364105
H -3.142237 1.644011 -0.615690
H -1.431741 -0.115141 1.184219
H -2.949951 -0.108263 -2.390653
H -1.332649 0.524627 -2.006952
H 0.273803 2.851732 2.372472
H -0.163342 1.159762 2.767961
H 2.048351 2.083893 1.081428
H 2.633072 1.326705 -1.337765
H 3.161316 -1.913860 1.474214
H -0.607014 -1.544002 -0.422960
H 4.793100 0.740519 -2.415408
H 5.332613 -2.488481 0.391134
H 6.145276 -1.160205 -1.550633
H -6.454915 -0.718478 0.660447
H -6.851082 -0.569729 -1.106005
H -5.901115 -1.990047 -0.491401


%chk=000294064-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294064

0 1
S -1.593865 -1.392752 -1.789358
O -4.935560 -0.444250 -0.540427
O -1.414816 3.173667 0.031650
O -3.655986 -0.934449 1.345860
O 0.619925 -0.590113 1.293134
N -1.751012 0.936821 0.615683
N 1.326806 1.600796 1.055880
C -2.865311 0.736112 -0.309691
C -2.388244 0.324735 -1.728040
C 0.104505 2.136391 1.681152
C -1.092537 2.142577 0.700639
C -3.826593 -0.300600 0.282836
C 1.508472 0.240672 0.890890
C 2.785230 -0.216695 0.243633
C 3.596954 0.624573 -0.563613
C 3.166594 -1.569012 0.439492
C 4.779862 0.122881 -1.147851
C 4.351515 -2.066896 -0.140064
C 5.163657 -1.221339 -0.932285
C -5.912791 -1.481744 -0.124546
H -3.397323 1.701861 -0.417013
H -1.386924 0.132760 1.146368
H -3.249884 0.255706 -2.409339
H -1.675934 1.076094 -2.102815
H 0.290097 3.177389 1.986869
H -0.132034 1.526364 2.571323
H 2.043428 2.257186 0.747202
H 3.301591 1.658566 -0.781313
H 2.515804 -2.207359 1.045693
H -0.615101 -1.151030 -0.833429
H 5.394602 0.774433 -1.778101
H 4.640525 -3.110880 0.021360
H 6.082338 -1.608259 -1.386659
H -6.331537 -1.233895 0.864971
H -6.688685 -1.462867 -0.901991
H -5.415970 -2.464842 -0.077500


