%chk=000195209.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195209

0 1
S -1.581085 1.127146 1.108302
O 3.012648 0.889897 0.270269
O 1.693431 0.336013 -1.540774
O -3.967376 2.101025 -0.786911
O -5.017581 0.791838 0.692605
N 1.166797 2.090465 -0.102334
C -0.089463 2.479008 -0.792890
C 4.030025 -0.174203 0.015962
C -1.214590 2.666520 0.230097
C -2.713955 0.255790 -0.021415
C -2.877112 -1.168997 0.503469
C 0.138390 3.782534 -1.571412
C 4.661312 0.084630 -1.344441
C 4.984071 0.094772 1.177703
C 3.341364 -1.525809 0.110455
C -1.607254 -1.973754 0.432821
C 1.925654 1.019783 -0.560171
C -4.017190 1.001975 0.054647
C -1.013633 -2.255952 -0.807271
C -1.038295 -2.487213 1.607657
C 0.135213 -3.048235 -0.868339
C 0.107872 -3.284546 1.539583
C 0.694064 -3.570317 0.303193
H -0.354697 1.660113 -1.521839
H -2.126738 3.062147 -0.270362
H -0.951044 3.412774 1.006588
H -2.309444 0.261687 -1.064745
H -3.670256 -1.689539 -0.082974
H -3.279366 -1.149098 1.543446
H 1.446897 2.589874 0.735440
H -0.754822 4.070780 -2.136430
H 0.956086 3.664947 -2.296011
H 0.407252 4.620279 -0.919665
H 3.922594 -0.045831 -2.153043
H 5.043969 1.108133 -1.425296
H 5.489669 -0.602141 -1.542402
H 4.470842 -0.002906 2.142982
H 5.385276 1.115081 1.136028
H 5.826434 -0.603649 1.167798
H 2.776673 -1.628990 1.045901
H 2.608444 -1.655089 -0.705181
H 4.055280 -2.351438 0.051018
H -1.439748 -1.855613 -1.724630
H -1.483849 -2.263959 2.575245
H 0.597649 -3.255285 -1.832668
H 0.543410 -3.683569 2.453941
H 1.583289 -4.194310 0.251487
H -4.806804 2.634032 -0.765635


%chk=000195209-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195209

0 1
S -2.018857 1.391969 1.314298
O 2.664236 0.436012 0.091135
O 2.115325 1.416230 -2.005707
O -3.706823 1.809029 -1.528786
O -5.121424 0.438479 -0.293647
N 0.812440 1.720769 -0.075864
C -0.242189 2.527026 -0.717794
C 3.904181 -0.278030 -0.420303
C -1.345871 2.853674 0.306970
C -2.664180 0.209749 -0.052572
C -2.881005 -1.194287 0.564416
C 0.315172 3.851160 -1.295119
C 4.932673 0.764767 -0.903168
C 4.388345 -1.009075 0.844486
C 3.509462 -1.274167 -1.530094
C -1.585012 -1.934168 0.862290
C 1.882826 1.210541 -0.780704
C -3.959511 0.785294 -0.594703
C -0.897615 -2.615217 -0.175595
C -1.041735 -1.968278 2.171101
C 0.304316 -3.309687 0.085449
C 0.160611 -2.661765 2.437376
C 0.837812 -3.334983 1.394967
H -0.682135 1.952151 -1.559145
H -2.192561 3.332953 -0.206615
H -0.961788 3.531408 1.091536
H -1.898748 0.187931 -0.845408
H -3.487869 -1.773172 -0.158074
H -3.502569 -1.092725 1.472198
H 0.638364 1.342048 0.859912
H -0.492658 4.429416 -1.779878
H 1.089341 3.627353 -2.046184
H 0.762418 4.465936 -0.492782
H 4.554744 1.305194 -1.785294
H 5.149877 1.491437 -0.100107
H 5.876488 0.256334 -1.173796
H 3.607179 -1.697560 1.210725
H 4.618277 -0.285628 1.645751
H 5.301000 -1.589801 0.619636
H 2.715661 -1.951465 -1.168475
H 3.148025 -0.741573 -2.423698
H 4.388900 -1.884073 -1.808282
H -1.312149 -2.612414 -1.192097
H -1.563548 -1.449311 2.983890
H 0.815770 -3.839903 -0.726313
H 0.565574 -2.679529 3.455414
H 1.765338 -3.881085 1.602204
H -4.575805 2.171837 -1.853753


