%chk=000181735.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181735

0 1
S 2.988030 -0.471585 0.626546
O -0.624016 1.848706 -1.248977
O -1.190824 2.858105 0.666156
O -3.244025 -1.235831 1.080568
N -1.661822 -0.489867 -0.376999
C -1.040304 0.393204 0.622296
C 0.371530 -0.065417 1.042856
C 1.348402 -0.175810 -0.117637
C -0.983734 1.825384 0.083553
C 4.092566 -0.355477 -0.825562
C -2.777100 -1.278259 -0.042472
C 5.493107 -0.606314 -0.308761
C -3.301195 -2.129754 -1.160265
H -1.702538 0.411425 1.548464
H 0.277211 -1.046712 1.561078
H 0.753684 0.639159 1.816688
H 1.088164 -1.011586 -0.791400
H 1.361405 0.746333 -0.731087
H -1.239497 -0.499056 -1.300927
H 3.799720 -1.103038 -1.584584
H 4.003895 0.644092 -1.288601
H 5.797088 0.133830 0.445552
H 5.595147 -1.598980 0.152900
H 6.228450 -0.554072 -1.123474
H -4.188707 -2.689953 -0.817720
H -3.614090 -1.537599 -2.030804
H -2.567602 -2.872560 -1.501186
H -0.599943 2.771634 -1.620303


%chk=000181735-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181735

0 1
S 2.940837 -0.486521 0.792953
O -1.342201 2.134127 -1.314486
O -0.854129 3.029051 0.773967
O -2.390902 -1.859909 1.139744
N -1.701745 -0.318959 -0.449968
C -1.166200 0.593200 0.568679
C 0.238060 0.162517 1.109410
C 1.326548 0.138211 0.025358
C -1.110330 2.032119 0.071395
C 4.011800 -0.504565 -0.773942
C -2.308679 -1.508748 -0.077960
C 5.423875 -0.993837 -0.420344
C -2.863191 -2.355025 -1.218484
H -1.848963 0.567149 1.441009
H 0.112912 -0.841303 1.552274
H 0.519730 0.859909 1.919592
H 1.050724 -0.547174 -0.795703
H 1.512749 1.146506 -0.387853
H -1.693843 -0.009191 -1.423035
H 3.528053 -1.173655 -1.507697
H 4.034864 0.521335 -1.182453
H 5.901157 -0.330421 0.322564
H 5.398761 -2.015991 -0.002648
H 6.060248 -1.009103 -1.324527
H -3.939707 -2.527209 -1.047502
H -2.726534 -1.897455 -2.213489
H -2.370330 -3.342508 -1.208486
H -1.280563 3.087453 -1.592469


