%chk=000190102.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190102

0 1
S -0.354692 -1.268774 0.232898
O -0.951589 -1.720159 -1.012726
O -0.349237 -2.153666 1.380965
O 5.630425 0.247069 -2.240801
O 6.117357 0.829475 -0.111643
N -1.078066 0.196200 0.743253
C -1.851883 1.080994 -0.178663
C -3.320558 0.682129 -0.273622
C -1.490014 0.294662 2.172129
C -1.206271 1.148756 -1.563871
C 1.286160 -0.780080 -0.106971
C -4.287323 1.529047 0.290159
C -3.725358 -0.498183 -0.909543
C 2.117588 -0.362961 0.934261
C 1.759045 -0.826918 -1.420332
C -0.800252 1.456657 2.837585
C -5.642962 1.198162 0.215838
C -5.081762 -0.827909 -0.981150
C 3.434225 0.022180 0.661191
C 3.074335 -0.445150 -1.702198
C 3.906523 -0.018725 -0.658668
C -6.042897 0.018347 -0.419875
C -1.114747 1.871075 4.062767
C 5.314269 0.402846 -0.908459
C 6.981963 0.616494 -2.629867
H -1.788352 2.112902 0.278937
H -2.599029 0.393919 2.261408
H -1.235583 -0.652223 2.718733
H -1.725081 1.890689 -2.185592
H -0.152934 1.444252 -1.512574
H -1.271485 0.193420 -2.111023
H -3.986504 2.449880 0.787105
H -2.978393 -1.170926 -1.351164
H 1.751050 -0.339602 1.965690
H 1.103929 -1.169396 -2.231390
H -0.015116 1.935750 2.249071
H -6.387841 1.859750 0.653761
H -5.387463 -1.748915 -1.475602
H 4.097816 0.352080 1.466214
H 3.457706 -0.479989 -2.725821
H -7.098291 -0.240101 -0.476935
H -0.618376 2.696093 4.553035
H -1.884857 1.423414 4.674328
H 7.149655 1.676490 -2.414035
H 7.702020 -0.007450 -2.090554
H 6.982451 0.409394 -3.705250


%chk=000190102-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190102

0 1
S -0.186170 -1.380449 0.396463
O -0.869060 -2.036967 -0.942322
O 0.019015 -2.299796 1.732111
O 5.746125 0.200242 -2.616658
O 6.334028 0.820138 -0.448856
N -0.956924 0.270004 1.059036
C -1.737930 1.113837 0.079604
C -3.224169 0.763669 -0.091632
C -1.637593 0.025241 2.369165
C -1.007139 1.259447 -1.272919
C 1.533326 -0.789361 -0.129769
C -4.202805 1.715055 0.293851
C -3.650330 -0.471144 -0.647751
C 2.406841 -0.313535 0.862134
C 1.884164 -0.926845 -1.481145
C -1.412516 1.239810 3.248896
C -5.580723 1.450752 0.120191
C -5.027453 -0.738181 -0.814401
C 3.704580 0.064967 0.463650
C 3.188248 -0.548228 -1.865536
C 4.095591 -0.048473 -0.896695
C -5.997320 0.219610 -0.434963
C -2.409985 1.956367 3.824736
C 5.485691 0.368436 -1.256062
C 7.107358 0.588038 -3.057938
H -1.693962 2.106015 0.578548
H -2.719105 -0.180724 2.251595
H -1.162247 -0.867431 2.824108
H -1.498162 2.054118 -1.860231
H 0.048732 1.542539 -1.118657
H -1.052988 0.329704 -1.864710
H -3.883908 2.669768 0.732495
H -2.907786 -1.222091 -0.944084
H 2.088583 -0.250549 1.906379
H 1.160748 -1.330082 -2.196777
H -0.360865 1.514218 3.413647
H -6.323066 2.199181 0.419954
H -5.343790 -1.696607 -1.241549
H 4.429361 0.446876 1.189440
H 3.510395 -0.638430 -2.905898
H -7.064147 0.007343 -0.568165
H -2.197223 2.803770 4.486082
H -3.465143 1.703830 3.661945
H 7.285787 1.655670 -2.846878
H 7.864280 -0.016792 -2.531303
H 7.119255 0.388035 -4.138136


