%chk=000239733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239733

0 1
S -0.883919 1.389250 0.008793
O -1.026731 2.421573 0.996820
O -0.174883 1.682568 -1.207225
O -0.709066 -2.240184 1.230362
N -0.172561 -0.023469 0.758122
C 1.230201 -0.066254 1.239034
C 2.218139 -0.119929 0.064410
C 3.664525 -0.072086 0.570600
C -2.385719 0.566606 -0.296904
C -2.329558 -0.771091 0.154282
C -1.007730 -1.160164 0.778001
C 4.661252 -0.122871 -0.595255
C 6.112151 -0.074242 -0.096077
C -3.529291 1.062820 -0.887842
C -3.415842 -1.617393 0.015790
C -4.642710 0.206233 -1.033888
C -4.585858 -1.111100 -0.589358
C 7.107755 -0.123900 -1.252879
H 1.410170 0.830033 1.875851
H 1.359905 -0.961320 1.894807
H 2.032092 0.717743 -0.642239
H 2.050687 -1.041186 -0.528117
H 3.828915 0.849559 1.162588
H 3.852749 -0.916867 1.261759
H 4.474271 0.720111 -1.288936
H 4.499939 -1.041575 -1.191564
H 6.275559 0.846590 0.497508
H 6.301299 -0.918172 0.595867
H -3.589130 2.094506 -1.241052
H -3.366501 -2.650774 0.366820
H -5.551919 0.588187 -1.500246
H -5.451326 -1.766582 -0.706020
H 6.999328 -1.042994 -1.839925
H 6.971485 0.720002 -1.938981
H 8.140423 -0.086930 -0.888602


%chk=000239733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239733

0 1
S -1.009494 1.578618 0.046419
O -1.118342 2.617493 1.286249
O -0.356551 2.108067 -1.340615
O -0.617668 -2.292079 0.942547
N -0.168168 -0.009880 0.637661
C 1.222450 0.041191 1.113068
C 2.262554 -0.090961 -0.021798
C 3.705941 -0.023770 0.524473
C -2.578675 0.572306 -0.243922
C -2.353139 -0.775861 0.080440
C -0.984900 -1.134874 0.589440
C 4.772126 -0.181754 -0.582848
C 6.220073 -0.107478 -0.046509
C -3.788232 1.078993 -0.725356
C -3.410958 -1.693121 -0.083010
C -4.844257 0.144388 -0.883594
C -4.654571 -1.223469 -0.565958
C 7.280635 -0.269683 -1.156714
H 1.363761 0.990202 1.666747
H 1.331878 -0.789648 1.836697
H 2.102002 0.713006 -0.765505
H 2.102729 -1.054366 -0.542863
H 3.861656 0.944541 1.044829
H 3.852271 -0.817728 1.286760
H 4.625156 0.606545 -1.350086
H 4.623200 -1.152074 -1.100602
H 6.367946 0.863200 0.469522
H 6.364616 -0.893722 0.722552
H -3.922510 2.136689 -0.969447
H -3.242328 -2.744919 0.169180
H -5.814179 0.489038 -1.256132
H -5.483638 -1.926138 -0.696776
H 7.170973 -1.243908 -1.669609
H 7.179214 0.524132 -1.920769
H 8.306532 -0.216276 -0.748168


