%chk=000198427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198427

0 1
S 1.257946 -1.028632 -1.251577
S -4.226965 1.747635 0.066175
O 3.582664 2.092922 0.999629
O -1.056193 -0.502685 -0.303711
O -1.528405 -2.409734 0.990813
N 2.147246 0.173330 -0.497628
N 0.462033 -2.135788 -0.220877
N -2.262542 0.026428 0.202984
C 3.464407 -0.179300 0.086092
C 1.416216 1.201228 0.283187
C 4.296566 1.110265 0.224419
C 2.310536 2.445724 0.417636
C 1.126472 -3.351870 0.282717
C -0.798579 -1.778135 0.273996
C -2.746571 0.978563 -0.528754
C -2.264805 1.564536 -1.803715
C -4.682712 0.834087 1.548966
H 3.987255 -0.901782 -0.578896
H 3.357974 -0.663858 1.083160
H 1.135363 0.827189 1.295126
H 0.461921 1.454330 -0.234726
H 5.210442 0.952651 0.824278
H 4.552215 1.540581 -0.759754
H 2.482593 2.938053 -0.555184
H 1.908699 3.169371 1.149299
H 1.646423 -3.866017 -0.544048
H 0.384067 -4.055782 0.707937
H 1.858842 -3.115151 1.072522
H -1.377344 1.025118 -2.183034
H -1.982405 2.622662 -1.692275
H -3.030195 1.512599 -2.595431
H -3.935574 0.946588 2.346478
H -4.783700 -0.244350 1.353085
H -5.646090 1.220424 1.903813


%chk=000198427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198427

0 1
S 1.332966 -0.994526 -1.439736
S -4.714476 1.588428 0.006430
O 3.888449 2.039206 0.957051
O -1.241629 -0.404525 -0.223719
O -1.387908 -2.262468 1.265809
N 2.352864 0.214784 -0.651037
N 0.467012 -1.955650 -0.125417
N -2.608654 -0.052067 0.270186
C 3.562300 -0.259389 0.072009
C 1.682169 1.347592 0.039559
C 4.531558 0.928414 0.240254
C 2.700367 2.491783 0.214197
C 1.115416 -3.160717 0.439658
C -0.778978 -1.607908 0.393655
C -3.060203 0.961148 -0.435025
C -2.384856 1.699535 -1.565156
C -5.170842 0.456901 1.442589
H 4.040075 -1.060846 -0.518331
H 3.295604 -0.661955 1.075005
H 1.298999 1.033702 1.034998
H 0.825804 1.677212 -0.572213
H 5.401171 0.640398 0.853619
H 4.874653 1.270751 -0.759637
H 3.004307 2.875667 -0.783234
H 2.269305 3.310615 0.813248
H 1.956709 -3.440144 -0.213428
H 0.391254 -3.991765 0.487495
H 1.489732 -2.974646 1.463954
H -1.714889 1.017942 -2.113946
H -1.772430 2.529533 -1.164833
H -3.128693 2.128299 -2.256996
H -4.438438 0.574635 2.253325
H -5.176978 -0.587297 1.100726
H -6.173942 0.778558 1.761646


