%chk=000290018.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290018

0 1
S 0.012461 0.318702 -0.000764
O 0.023222 0.969288 1.279253
O 0.025541 0.981885 -1.274175
O -2.770526 1.074245 -0.000558
O 2.850822 0.994758 0.006524
N 3.798471 -1.061939 -0.000578
C -1.357725 -0.836005 -0.006930
C 1.351908 -0.889430 -0.006066
C -2.692561 -0.127341 -0.000320
C 2.692286 -0.208118 0.000166
C -3.892954 -1.027673 0.006371
H -1.310735 -1.514508 0.865784
H -1.313548 -1.501871 -0.889508
H 1.270205 -1.558265 0.872290
H 1.272880 -1.547139 -0.893039
H -4.823491 -0.435220 0.005658
H -3.928124 -1.679508 -0.875460
H -3.924224 -1.670348 0.895159
H 3.735774 -2.060578 -0.008719
H 4.727918 -0.667136 0.002113


%chk=000290018-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290018

0 1
S 0.034430 0.400736 -0.003317
O 0.034064 1.133636 1.447020
O 0.048748 1.159451 -1.440124
O -2.928298 1.097076 -0.008752
O 2.997601 1.009582 0.009356
N 3.917280 -1.123749 0.003999
C -1.467116 -0.866549 -0.020934
C 1.480642 -0.937262 -0.007858
C -2.823616 -0.148878 -0.007333
C 2.849124 -0.238503 0.005308
C -4.028604 -1.082924 0.016239
H -1.327143 -1.493208 0.876865
H -1.330018 -1.462237 -0.940065
H 1.303189 -1.539539 0.898584
H 1.312132 -1.523103 -0.926730
H -4.953590 -0.486159 0.014957
H -4.024291 -1.753151 -0.864092
H -4.009648 -1.724869 0.917316
H 3.803517 -2.136142 -0.002220
H 4.859196 -0.730410 0.008984


