%chk=000207873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207873

0 1
S -3.893455 -0.435815 -0.606307
S 2.494394 0.319208 2.238399
P 2.911322 0.179809 0.393055
O 1.837404 0.927128 -0.637606
O -4.713997 0.592948 -1.221568
O -3.961568 -1.803757 -1.088511
O 4.295309 0.859432 -0.137074
O 3.004282 -1.307792 -0.274111
N -4.343747 -0.492929 1.058181
C -2.223634 0.032042 -0.625479
C -1.778321 1.364125 -0.644339
C -1.289142 -1.019007 -0.644545
C -0.396008 1.628679 -0.613420
C 0.500960 0.560030 -0.594288
C 0.079211 -0.779677 -0.625619
C -2.705565 2.527689 -0.679854
C -4.526412 0.808831 1.736641
C -3.637805 -1.506738 1.874151
C 4.577571 2.231817 0.309352
C 3.944817 -2.248246 0.353369
C 5.947643 2.495975 -0.281574
C 3.680444 -3.533827 -0.403608
H -1.645628 -2.059095 -0.687612
H -0.017429 2.648904 -0.609880
H 0.792351 -1.606422 -0.664908
H -3.021145 2.830345 0.328403
H -3.637463 2.323480 -1.254205
H -2.254800 3.412960 -1.150448
H -3.585422 1.308516 2.016322
H -5.117226 0.661388 2.659191
H -5.121492 1.480862 1.087720
H -3.678016 -2.484282 1.354752
H -4.164711 -1.642949 2.835408
H -2.587840 -1.256987 2.097245
H 3.803913 2.902611 -0.110793
H 4.582535 2.272155 1.416193
H 4.972732 -1.870174 0.191566
H 3.718400 -2.343562 1.433265
H 6.707475 1.829663 0.148952
H 5.950836 2.313002 -1.366832
H 6.265353 3.531328 -0.111199
H 3.737337 -3.369182 -1.490728
H 2.674377 -3.924626 -0.199518
H 4.407461 -4.311564 -0.141342


%chk=000207873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207873

0 1
S -4.095046 -0.512159 -0.545220
S 2.766091 0.101315 2.399053
P 3.081287 0.112446 0.363851
O 1.851661 0.839114 -0.650924
O -4.987833 0.557415 -1.382005
O -4.091925 -2.095980 -0.913960
O 4.448658 0.959732 -0.236577
O 3.259541 -1.395968 -0.443803
N -4.780084 -0.460626 1.222904
C -2.245856 0.017936 -0.548963
C -1.829560 1.369519 -0.668224
C -1.354226 -1.067976 -0.456712
C -0.427200 1.582020 -0.667621
C 0.479440 0.506476 -0.562077
C 0.033300 -0.829887 -0.463472
C -2.761676 2.559389 -0.807036
C -4.941906 0.922372 1.719446
C -4.024189 -1.376859 2.105714
C 4.788348 2.298499 0.342846
C 4.273351 -2.368202 0.084107
C 6.175730 2.646498 -0.185261
C 4.007505 -3.688372 -0.630808
H -1.751701 -2.087782 -0.423266
H -0.028808 2.597166 -0.759316
H 0.750780 -1.654486 -0.425074
H -3.301990 2.761367 0.135731
H -3.529214 2.377174 -1.577042
H -2.188992 3.464879 -1.065875
H -4.000496 1.386049 2.092984
H -5.667385 0.887638 2.552812
H -5.379384 1.540362 0.917571
H -3.902457 -2.345245 1.593302
H -4.640937 -1.544695 3.007381
H -3.031264 -0.986264 2.423306
H 4.023957 3.022370 0.005388
H 4.765766 2.226722 1.447311
H 5.278273 -1.968772 -0.143466
H 4.147962 -2.454506 1.180879
H 6.920839 1.906014 0.151085
H 6.178652 2.673810 -1.287717
H 6.476282 3.642066 0.190220
H 4.095395 -3.565636 -1.723210
H 2.997635 -4.066443 -0.398399
H 4.746974 -4.442193 -0.303064


