%chk=000280908.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280908

0 1
S 3.587583 -0.212425 -0.119834
O 3.845332 -1.480098 -0.774417
O 4.277859 0.995254 -0.534651
O -3.121081 -1.264105 0.135917
N -2.238138 0.895675 0.042033
N 4.034457 -0.449537 1.526924
N -4.582842 0.521952 0.150274
C 1.899304 0.085145 -0.066858
C -0.854883 0.572741 0.017729
C 1.422084 1.400049 0.004353
C 0.991378 -0.982074 -0.101666
C 0.055815 1.657279 0.048303
C -0.379695 -0.750784 -0.057613
C -3.303362 -0.061620 0.091717
C -5.757174 -0.372276 0.034451
H 2.130247 2.238321 0.016528
H 1.360265 -2.012881 -0.173898
H -0.297211 2.683355 0.102787
H -1.081940 -1.593451 -0.079059
H -2.464361 1.889805 0.118621
H 4.339759 -1.377592 1.810429
H 4.636222 0.244719 1.963263
H -4.740653 1.485135 -0.124714
H -5.493041 -1.403862 0.346474
H -6.144166 -0.422969 -0.996399
H -6.553958 -0.010354 0.706404


%chk=000280908-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280908

0 1
S 3.700772 -0.216796 -0.081535
O 3.957924 -1.698713 -0.709644
O 4.405946 1.135535 -0.657611
O -3.231995 -1.375705 -0.027062
N -2.286637 0.792927 0.041288
N 4.188218 -0.272670 1.700123
N -4.612594 0.509644 0.036739
C 1.853284 0.067219 -0.028317
C -0.904876 0.494711 0.015829
C 1.387254 1.390513 0.038459
C 0.997130 -1.043597 -0.084436
C -0.002380 1.598069 0.058584
C -0.395551 -0.833107 -0.062316
C -3.368956 -0.117675 0.013568
C -5.855061 -0.270208 0.016903
H 2.090636 2.228630 0.050109
H 1.409887 -2.054008 -0.168836
H -0.391025 2.622936 0.105922
H -1.094112 -1.669942 -0.105205
H -2.512963 1.788806 0.087126
H 4.430055 -1.249147 1.939491
H 4.983130 0.379002 1.816017
H -4.681673 1.527583 0.058054
H -5.575969 -1.335298 -0.011232
H -6.461752 -0.038426 -0.877925
H -6.460893 -0.084879 0.923002


