%chk=000179120.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179120

0 1
S 2.445896 2.132047 -0.665175
O -2.916449 -1.412396 -1.154755
O -1.273975 0.826695 -0.664162
O 2.168065 3.442709 -0.155334
O 3.181416 1.980204 -1.900684
O -0.132239 1.914025 1.026876
O 2.969810 -2.185640 2.057247
O 1.192003 -1.163484 1.107545
N 3.197016 1.195833 0.545820
N 0.920883 1.341524 -0.962566
C -4.050433 -2.406249 -1.183263
C -5.097889 -1.895864 -0.149501
C -4.486040 -0.642764 0.396114
C -3.230254 -0.443880 -0.234792
C -3.407304 -3.726255 -0.793407
C -4.548601 -2.373780 -2.618065
C 4.647895 0.843849 0.397209
C -2.446096 0.669882 0.086147
C -4.942921 0.254252 1.347219
C 2.713435 1.374756 1.940256
C -2.909610 1.578519 1.050228
C -4.141800 1.365293 1.669081
C 4.812556 -0.165732 -0.741332
C 5.514111 2.088313 0.170017
C 2.665625 0.031498 2.690150
C -0.152675 1.397212 -0.069625
C 0.809199 0.448750 -2.148550
C 2.150321 -1.093534 1.836465
C 2.695004 -3.416218 1.317915
C 3.652617 -3.483485 0.145540
H -6.078211 -1.698885 -0.619962
H -5.284576 -2.638274 0.647503
H -4.116707 -4.558036 -0.837550
H -2.565120 -3.963511 -1.458301
H -2.990267 -3.680687 0.222117
H -3.728996 -2.572887 -3.322632
H -5.333258 -3.115258 -2.797129
H -4.944207 -1.383414 -2.881296
H 4.967790 0.351436 1.356754
H -5.900880 0.107637 1.839436
H 3.357990 2.083936 2.508529
H 1.683478 1.826015 1.932195
H -2.291042 2.440001 1.318892
H -4.490765 2.075121 2.417429
H 4.560054 0.269761 -1.722699
H 5.847430 -0.516857 -0.804414
H 4.164766 -1.047316 -0.595928
H 5.362643 2.522320 -0.830602
H 6.579719 1.841069 0.237154
H 5.316354 2.875810 0.905078
H 2.004201 0.131080 3.580270
H 3.670018 -0.232674 3.090011
H 0.851359 -0.611487 -1.838697
H -0.157011 0.611872 -2.663614
H 1.622295 0.654225 -2.868594
H 1.634031 -3.426825 1.004266
H 2.883209 -4.192630 2.080000
H 3.374314 -4.274182 -0.559819
H 3.661899 -2.525105 -0.409141
H 4.683828 -3.666433 0.471822


%chk=000179120-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179120

0 1
S 2.582206 2.273333 -0.684433
O -2.652482 -1.352074 -1.124710
O -1.297932 1.142006 -0.831288
O 2.333373 3.720501 -0.009926
O 3.382902 2.185685 -2.088699
O -0.106624 2.181222 0.934111
O 2.365126 -2.548662 1.667649
O 0.734176 -0.987988 1.077063
N 3.348847 0.967433 0.475786
N 0.928636 1.456903 -1.066664
C -3.512625 -2.591820 -0.834235
C -4.765129 -2.036495 -0.073143
C -4.316884 -0.658383 0.391681
C -3.110774 -0.341578 -0.273624
C -2.648252 -3.502328 0.056681
C -3.831773 -3.218293 -2.194409
C 4.867611 1.014756 0.462916
C -2.473067 0.896985 -0.066957
C -4.902032 0.264077 1.275908
C 2.737319 1.095350 1.841165
C -3.057704 1.833510 0.814858
C -4.262615 1.513456 1.483672
C 5.432121 0.223805 -0.731137
C 5.479819 2.431602 0.591682
C 2.664058 -0.311523 2.474677
C -0.134207 1.647781 -0.196888
C 0.873762 0.626064 -2.279375
C 1.805580 -1.267934 1.658455
C 1.617817 -3.609654 0.920795
C 2.017290 -3.612168 -0.557451
H -5.636236 -1.960510 -0.752563
H -5.048468 -2.700885 0.762584
H -3.180335 -4.446143 0.278262
H -1.700352 -3.742187 -0.456214
H -2.409346 -2.998339 1.010037
H -2.903438 -3.510615 -2.715225
H -4.457252 -4.120345 -2.063143
H -4.376694 -2.502701 -2.833573
H 5.111029 0.453600 1.390437
H -5.836704 0.026918 1.795803
H 3.320182 1.774277 2.496325
H 1.717673 1.510328 1.752443
H -2.558784 2.789638 0.987010
H -4.701174 2.244413 2.170499
H 5.232301 0.747727 -1.679844
H 6.525473 0.104381 -0.616393
H 4.971184 -0.778251 -0.778029
H 5.347096 3.000169 -0.345891
H 6.563861 2.350836 0.788219
H 5.021693 3.007098 1.415830
H 2.202960 -0.207583 3.477248
H 3.661103 -0.760104 2.618093
H 0.634184 -0.415344 -2.006374
H 0.103555 1.011805 -2.967116
H 1.855929 0.677843 -2.779863
H 0.535200 -3.429077 1.044178
H 1.911200 -4.540512 1.431905
H 1.528909 -4.458801 -1.075182
H 1.701045 -2.677491 -1.050019
H 3.109566 -3.723814 -0.669909


