%chk=000286223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286223

0 1
S -2.788147 -1.562968 0.071038
S 2.788302 -1.562493 0.070558
O -3.638273 -2.078615 1.124746
O -2.850229 -2.125942 -1.246253
O 2.850246 -2.125433 -1.246753
O 3.638687 -2.078036 1.124109
O -0.000080 -0.698979 -0.755446
N -1.205360 -1.931176 0.751545
N 1.205690 -1.930962 0.751336
C -2.872635 0.148262 0.029922
C 2.872542 0.148751 0.029466
C 0.000076 -1.489386 0.181600
C -2.286597 0.862827 -1.020852
C 3.563324 0.828787 1.042611
C -3.563361 0.828224 1.043155
C 2.286259 0.863259 -1.021212
C -2.392080 2.257732 -1.059748
C 3.666516 2.219687 1.004618
C -3.666750 2.219110 1.005145
C 2.391546 2.258180 -1.060093
C -3.080693 2.933171 -0.048783
C 3.080209 2.933691 -0.049210
H -1.174087 -2.579499 1.551174
H 1.174665 -2.579287 1.550972
H -1.733513 0.332375 -1.809577
H 4.029331 0.267370 1.861579
H -4.029173 0.266761 1.862202
H 1.733142 0.332750 -1.809876
H -1.936967 2.812244 -1.879128
H 4.204101 2.749026 1.789919
H -4.204295 2.748392 1.790513
H 1.936243 2.812647 -1.879397
H -3.164456 4.020699 -0.078932
H 3.163820 4.021231 -0.079349


%chk=000286223-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286223

0 1
S -2.862876 -1.639084 0.085543
S 2.862784 -1.638340 0.084366
O -3.780352 -2.264585 1.272182
O -2.889622 -2.246930 -1.408055
O 2.888920 -2.245619 -1.409474
O 3.780821 -2.264255 1.270352
O -0.000392 -0.708467 -0.824278
N -1.169703 -1.862215 0.846037
N 1.169963 -1.861927 0.845527
C -3.104833 0.231820 0.028718
C 3.104651 0.232598 0.028170
C -0.000063 -1.445154 0.202710
C -2.648789 0.929782 -1.099605
C 3.791738 0.809355 1.107833
C -3.791486 0.808992 1.108435
C 2.648168 0.930996 -1.099705
C -2.902701 2.320460 -1.134972
C 4.029169 2.202208 1.048740
C -4.028956 2.201819 1.048887
C 2.902068 2.321687 -1.134636
C -3.585088 2.950423 -0.066896
C 3.584858 2.951243 -0.066578
H -1.202688 -2.533092 1.622427
H 1.203429 -2.532857 1.621850
H -2.115396 0.412880 -1.901557
H 4.140846 0.193349 1.942622
H -4.140258 0.193309 1.943601
H 2.114475 0.414404 -1.901654
H -2.565583 2.906389 -1.995880
H 4.564108 2.694227 1.867310
H -4.563576 2.694153 1.867477
H 2.564618 2.907946 -1.995189
H -3.777284 4.028025 -0.106687
H 3.777034 4.028861 -0.106025


