%chk=000284798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284798

0 1
S 3.793738 1.363250 0.273966
O 3.101831 1.870325 1.433836
O 4.990660 2.000527 -0.229200
O -7.641219 -0.257512 -0.215866
O -6.874792 -0.095530 1.798604
N 2.725038 1.469667 -1.095299
N -6.734149 -0.085582 0.584993
C -1.756472 0.809919 1.158341
C -0.761875 0.948547 0.027634
C -1.424828 0.814549 -1.231695
C -3.059384 0.564721 0.436204
C -2.843964 0.573957 -0.984953
C 0.597382 1.178792 0.108999
C -0.702012 0.936358 -2.415033
C 1.328634 1.278599 -1.101104
C -4.316640 0.353864 0.959903
C -3.902501 0.371526 -1.863221
C 0.672540 1.169279 -2.351968
C -5.380077 0.146859 0.049990
C -5.183493 0.156100 -1.336654
C 4.052836 -0.324113 0.440269
C 5.171554 -0.918936 -0.157382
C 3.162729 -1.111697 1.182349
C 4.498716 -3.082261 0.710204
C 5.395265 -2.288635 -0.026841
C 3.379561 -2.481143 1.316494
C 4.725630 -4.547480 0.860829
H -1.495660 -0.020024 1.842736
H -1.794843 1.726295 1.782154
H 1.074883 1.341096 1.079760
H -1.199959 0.850559 -3.380689
H -4.509858 0.342908 2.036093
H -3.746326 0.379807 -2.939961
H 1.239734 1.264335 -3.274233
H 3.133799 1.762039 -1.995534
H -6.036732 -0.006207 -2.004956
H 5.881785 -0.304465 -0.724488
H 2.294001 -0.651868 1.666574
H 6.268308 -2.741863 -0.494088
H 2.683557 -3.088055 1.893791
H 3.846764 -5.129170 0.542498
H 5.580178 -4.915387 0.276280
H 4.919761 -4.814252 1.911966


%chk=000284798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284798

0 1
S 3.929062 1.495995 0.306890
O 3.303548 2.049804 1.697868
O 5.281860 2.098529 -0.359518
O -7.674259 -0.486658 -0.366274
O -6.925968 -0.235262 1.775332
N 2.731662 1.767307 -1.042824
N -6.737424 -0.245729 0.494020
C -1.780719 0.873104 1.174871
C -0.760820 1.033014 0.053570
C -1.396176 0.841704 -1.213268
C -3.066859 0.557102 0.421657
C -2.814807 0.545674 -0.990226
C 0.600986 1.347143 0.148064
C -0.643116 0.962942 -2.404078
C 1.361495 1.450341 -1.054011
C -4.346778 0.301466 0.923575
C -3.863160 0.276973 -1.903712
C 0.731561 1.248378 -2.322094
C -5.379394 0.031439 -0.010957
C -5.155153 0.017248 -1.409710
C 4.100012 -0.378579 0.466391
C 4.987744 -1.027372 -0.405502
C 3.364409 -1.038838 1.463796
C 4.392591 -3.150750 0.704042
C 5.124469 -2.427459 -0.274913
C 3.518675 -2.437565 1.568947
C 4.551544 -4.653040 0.843268
H -1.502900 0.062561 1.876192
H -1.873915 1.794849 1.781429
H 1.075365 1.556712 1.111937
H -1.109567 0.823369 -3.385411
H -4.578743 0.301819 1.992054
H -3.680593 0.268718 -2.983201
H 1.332626 1.318972 -3.236068
H 3.221176 2.093307 -1.881780
H -5.995223 -0.196212 -2.075601
H 5.568311 -0.459527 -1.139628
H 2.717998 -0.477443 2.145340
H 5.813274 -2.961765 -0.938501
H 2.958066 -2.981197 2.338016
H 3.573802 -5.165956 0.790452
H 5.196768 -5.070028 0.052231
H 5.002669 -4.915396 1.818635


