%chk=000197992.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197992

0 1
S 1.025571 -0.747251 -2.260427
S 0.269661 1.191398 -2.323379
O 1.757813 2.557368 0.480735
O -0.635353 -2.022726 0.561770
O -3.058563 -1.664171 -0.623635
O 4.502183 2.073105 0.972250
O -4.781791 2.404701 0.424413
O -3.578088 -1.875550 1.578348
N 1.947519 0.294334 0.079719
N -0.852750 0.205186 -0.049209
C 1.281706 -0.907163 -0.441539
C -0.138271 1.389955 -0.532629
C 3.295086 -0.016969 0.644945
C -2.283593 0.506137 0.286094
C 2.197894 -2.092956 -0.134466
C -1.049957 2.587519 -0.296420
C 1.277358 1.516736 0.080969
C -0.171322 -1.011180 0.088751
C 3.516153 -1.460248 0.211473
C -2.388097 1.997821 0.079098
C 4.437052 0.908122 0.146822
C -3.292154 -0.231696 -0.639759
C 4.747072 -1.974538 0.093941
C -3.481072 2.765351 0.158365
C 5.776461 0.229795 0.332165
C 5.909988 -1.104236 0.309376
C -4.707358 0.026575 -0.243249
C -5.279549 1.130899 0.237544
C -3.211983 -2.393525 0.551710
C -2.886362 -3.813809 0.261430
H 3.245000 0.058927 1.767554
H -2.474455 0.204057 1.355668
H 2.281725 -2.808592 -0.977325
H 1.793238 -2.692061 0.715688
H -1.123225 3.253164 -1.181201
H -0.645079 3.230765 0.521975
H 4.288025 1.216457 -0.915123
H -3.099855 -0.013320 -1.719675
H 4.936636 -3.008185 -0.185652
H -3.501129 3.854362 0.064571
H 6.607517 0.919404 0.483695
H 6.876014 -1.593565 0.426056
H -5.335461 -0.871600 -0.337858
H 3.659928 2.605422 0.888513
H -6.327458 1.219285 0.543885
H -1.810557 -3.988413 0.464994
H -3.055120 -4.080374 -0.792472
H -3.463893 -4.494817 0.901800


%chk=000197992-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197992

0 1
S 1.012044 -0.881847 -2.189559
S 0.159889 1.252117 -2.283287
O 1.834468 2.601317 0.575644
O -0.622181 -2.020739 0.887196
O -3.004325 -1.733747 -0.712396
O 4.563943 2.231638 0.731141
O -4.835916 2.407945 0.315348
O -3.845806 -1.920617 1.465129
N 1.976079 0.285069 0.224708
N -0.832163 0.221294 0.175162
C 1.270946 -0.908378 -0.228854
C -0.111290 1.380151 -0.318144
C 3.394033 0.027764 0.629847
C -2.295831 0.471117 0.364084
C 2.198970 -2.091767 0.111427
C -1.001378 2.587961 -0.001488
C 1.324416 1.493953 0.214808
C -0.158318 -0.984412 0.343583
C 3.560945 -1.439535 0.227385
C -2.386888 1.983926 0.205717
C 4.462676 0.966799 0.011461
C -3.196149 -0.248465 -0.702841
C 4.798743 -1.946033 -0.011889
C -3.490794 2.771491 0.209029
C 5.828851 0.297899 0.089447
C 5.978183 -1.057981 0.070780
C -4.666123 0.051353 -0.522382
C -5.320734 1.144542 -0.056575
C -3.364759 -2.457688 0.443977
C -3.071427 -3.923826 0.251659
H 3.472627 0.148257 1.734462
H -2.604519 0.106419 1.360477
H 2.162620 -2.891851 -0.645705
H 1.841419 -2.531489 1.064537
H -0.974867 3.347090 -0.800406
H -0.599810 3.069774 0.910483
H 4.204207 1.139359 -1.062052
H -2.827593 0.021367 -1.707836
H 4.936799 -2.997945 -0.287263
H -3.417494 3.860748 0.143753
H 6.683129 0.982657 0.108744
H 6.977656 -1.506297 0.074292
H -5.322536 -0.784304 -0.790483
H 3.646089 2.639460 0.752780
H -6.408387 1.154119 0.043908
H -2.008224 -4.086641 0.503065
H -3.228823 -4.229256 -0.794571
H -3.695293 -4.522869 0.931995


