%chk=000261598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261598

0 1
S 1.198137 -0.206645 -1.783184
O 1.327455 1.088400 2.044840
O 3.789425 -0.038044 1.797787
O 3.459841 -1.787631 -0.402014
O -1.310048 2.597456 -0.323931
O -4.740294 -0.407530 0.012633
N -0.741044 0.364057 -0.099060
N -3.041263 1.079225 -0.147157
C 1.546441 0.215803 0.925125
C 0.686387 0.686376 -0.260800
C 3.059182 0.422413 0.661921
C 3.617291 -0.386790 -0.536797
C 2.978413 0.104127 -1.834855
C -1.172646 -0.977276 -0.004879
C -1.683531 1.447313 -0.213126
C -2.488628 -1.299315 0.052304
C -3.539406 -0.269204 -0.021069
C -2.967560 -2.703126 0.183266
H 1.331641 -0.829194 1.240455
H 0.799900 1.804124 -0.395991
H 3.269905 1.512619 0.532254
H 4.735384 -0.288008 -0.550304
H 3.201244 1.166602 -2.042755
H 3.372908 -0.472235 -2.701967
H -0.386467 -1.743551 0.031254
H 0.400695 1.030064 2.362306
H 3.447460 0.413793 2.611638
H 2.517584 -2.059462 -0.392488
H -3.731626 1.844137 -0.216448
H -3.584914 -2.827754 1.088586
H -2.153232 -3.435832 0.233097
H -3.610634 -2.980609 -0.669341


%chk=000261598-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000261598

0 1
S 1.292724 -0.277085 -1.969601
O 1.144208 0.817137 2.082150
O 3.772110 0.103148 1.903765
O 3.585823 -1.759575 -0.399560
O -1.208243 2.608201 -0.563785
O -4.792353 -0.304000 0.154652
N -0.734047 0.323166 -0.186171
N -2.963963 1.104969 -0.189034
C 1.541640 0.089949 0.863408
C 0.704164 0.572403 -0.341153
C 3.038683 0.438820 0.694787
C 3.702215 -0.303357 -0.489304
C 3.128747 0.210453 -1.824168
C -1.225053 -0.977753 0.012789
C -1.612117 1.438668 -0.336114
C -2.559402 -1.276321 0.141233
C -3.539895 -0.179159 0.049042
C -3.082437 -2.674272 0.355822
H 1.442219 -1.004547 1.016217
H 0.816852 1.661590 -0.475825
H 3.102576 1.535400 0.499929
H 4.786835 -0.101870 -0.435101
H 3.212881 1.304240 -1.934263
H 3.613258 -0.287201 -2.679045
H -0.462897 -1.761145 0.040968
H 0.245440 0.528847 2.379468
H 3.248927 0.462248 2.668455
H 2.712707 -2.009690 -0.814306
H -3.621339 1.887024 -0.279000
H -3.663420 -2.734764 1.293865
H -2.263328 -3.412143 0.397300
H -3.775515 -2.959077 -0.456118


