%chk=000118727.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118727

0 1
S 7.346159 -0.492139 -1.582379
O 2.041812 1.068969 0.471056
O -0.675538 -2.932594 0.048169
O -2.727688 2.685492 0.126157
O -3.096679 -2.684058 -0.200304
N -0.090517 2.599772 0.048452
C -1.564400 0.623892 0.073181
C -1.677438 -0.799604 0.025998
C -4.112078 0.788185 -0.021903
C -4.214349 -0.608511 -0.098115
C -2.785016 1.463415 0.059325
C -0.300372 1.235325 0.146658
C -2.994210 -1.478495 -0.099883
C -0.523787 -1.577999 0.095719
C 0.864112 0.366710 0.244635
C 0.773740 -0.998396 0.220845
C -5.272627 1.574397 -0.024160
C -5.474824 -1.213099 -0.176075
C -6.530081 0.966711 -0.101166
C -6.631111 -0.425241 -0.177013
C 3.250132 0.578653 -0.041795
C 3.352463 -0.075512 -1.273058
C 4.361411 0.896220 0.753242
C 4.628894 -0.427061 -1.723754
C 5.626373 0.544988 0.279863
C 5.748380 -0.117428 -0.946829
C 7.822337 -1.949771 -0.622388
H 1.654196 -1.632011 0.306472
H -5.180023 2.663253 0.034369
H -5.540351 -2.304179 -0.236713
H -7.430208 1.581253 -0.102401
H -7.610535 -0.900040 -0.237608
H 0.807271 2.971795 0.321824
H -0.892659 3.229362 0.141809
H 0.192315 -3.410103 0.116551
H 2.469915 -0.287635 -1.873783
H 4.227047 1.409497 1.703336
H 4.741915 -0.935805 -2.684514
H 6.512866 0.790113 0.869235
H 7.875060 -1.735932 0.449832
H 7.134212 -2.786383 -0.782124
H 8.821179 -2.256305 -0.962064


%chk=000118727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118727

0 1
S 7.317124 -1.412254 -1.595283
O 2.019577 1.024041 0.101970
O -0.732391 -3.012991 -0.366816
O -2.731155 2.756917 0.326358
O -3.357029 -2.702641 -0.336697
N -0.152967 2.548399 0.275772
C -1.661636 0.599296 0.057075
C -1.810833 -0.834621 -0.114329
C -4.191493 0.866195 0.103635
C -4.346919 -0.535912 -0.066971
C -2.839697 1.475943 0.170653
C -0.358064 1.202192 0.115622
C -3.164220 -1.451964 -0.183713
C -0.635910 -1.628359 -0.212335
C 0.790494 0.342852 -0.001145
C 0.658061 -1.032607 -0.155798
C -5.336673 1.697714 0.209776
C -5.649282 -1.092298 -0.129739
C -6.625787 1.137287 0.146655
C -6.782461 -0.263679 -0.023966
C 3.236291 0.382150 -0.278608
C 3.428588 -0.100180 -1.593464
C 4.277213 0.347155 0.666687
C 4.679811 -0.637186 -1.951532
C 5.533058 -0.187944 0.300546
C 5.741110 -0.688361 -1.007185
C 8.428398 -1.242022 -0.093833
H 1.554539 -1.659949 -0.226934
H -5.181693 2.773028 0.339695
H -5.736509 -2.175286 -0.261630
H -7.508505 1.780753 0.228696
H -7.786433 -0.699320 -0.073174
H 0.800845 2.903302 0.306551
H -1.002505 3.131121 0.356150
H 0.174001 -3.414603 -0.413945
H 2.619029 -0.044718 -2.328152
H 4.104518 0.737921 1.673857
H 4.834897 -1.006721 -2.971121
H 6.333100 -0.207360 1.046106
H 8.550620 -0.183339 0.183365
H 8.037575 -1.829126 0.751831
H 9.400614 -1.653122 -0.405930


