%chk=000233206.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233206

0 1
S 2.532772 1.018713 1.014649
O 2.582680 1.531715 2.362988
O 3.648994 0.291627 0.453852
O -1.265304 -0.459612 2.072162
N 1.142154 -0.024661 1.039415
C 0.805683 -1.029804 0.129655
C 2.055078 2.260483 -0.072222
C -0.486316 -1.634969 0.167236
C 1.328000 3.361005 0.400972
C 2.398389 2.186130 -1.427086
C 1.741245 -1.452310 -0.856166
C -1.498645 -1.242910 1.161023
C 1.275019 4.296792 -1.837339
C -0.785316 -2.645103 -0.776012
C 0.937628 4.373201 -0.473226
C 2.011002 3.195492 -2.307991
C -2.877000 -1.830352 1.042863
C 1.402960 -2.435014 -1.766301
C 0.129729 -3.039091 -1.736220
C 0.856793 5.385528 -2.766292
C -3.734533 -1.406724 0.019329
C -3.309549 -2.768112 1.988078
C -5.027245 -1.931598 -0.060852
C -4.601950 -3.294540 1.898435
C -5.459702 -2.877012 0.875816
H 0.463439 0.096971 1.845096
H 1.070710 3.432625 1.464746
H 2.981145 1.335824 -1.799991
H 2.758859 -1.044169 -0.864622
H -1.766089 -3.129146 -0.742335
H 0.372627 5.225669 -0.099501
H 2.282492 3.129519 -3.360064
H 2.130889 -2.757886 -2.513433
H -0.118628 -3.814257 -2.455469
H 1.358186 6.333988 -2.516724
H 1.089140 5.168751 -3.817833
H -0.226246 5.573084 -2.709632
H -3.395950 -0.668603 -0.707067
H -2.643626 -3.079950 2.793173
H -5.698810 -1.602354 -0.852052
H -4.941137 -4.025999 2.630551
H -6.467268 -3.285440 0.810391


%chk=000233206-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233206

0 1
S 2.633438 0.880732 1.021477
O 2.622371 1.404460 2.554531
O 3.965966 0.258056 0.324975
O -0.949870 -0.858964 2.157102
N 1.273813 -0.342532 1.017419
C 0.950323 -1.246664 0.011734
C 2.008381 2.271064 -0.097006
C -0.359315 -1.880381 0.053428
C 1.123047 3.210763 0.457357
C 2.471165 2.324794 -1.419425
C 1.852769 -1.586542 -1.040719
C -1.326164 -1.518828 1.110479
C 1.093858 4.348336 -1.733362
C -0.656509 -2.884955 -0.916996
C 0.668836 4.251327 -0.379312
C 1.998572 3.377992 -2.236077
C -2.781211 -1.875896 1.011691
C 1.496487 -2.548151 -1.998340
C 0.246866 -3.219460 -1.935545
C 0.599552 5.483703 -2.610739
C -3.504623 -1.820601 -0.210996
C -3.476506 -2.176882 2.213959
C -4.891995 -2.082305 -0.229364
C -4.857349 -2.457540 2.189991
C -5.569465 -2.412869 0.967068
H 0.606926 -0.291404 1.829948
H 0.817829 3.141199 1.506437
H 3.191319 1.587356 -1.787511
H 2.848761 -1.135330 -1.052986
H -1.605053 -3.424136 -0.837818
H -0.021287 5.001031 0.024812
H 2.343595 3.446585 -3.273722
H 2.215645 -2.806046 -2.784050
H -0.000327 -4.001188 -2.660154
H 0.970573 6.459030 -2.243252
H 0.936324 5.368498 -3.654572
H -0.504568 5.537182 -2.613106
H -2.993682 -1.535556 -1.136357
H -2.917358 -2.179807 3.155137
H -5.443930 -2.021382 -1.173687
H -5.380302 -2.703735 3.120393
H -6.644605 -2.623453 0.949158


