%chk=000179946.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179946

0 1
S -0.168879 2.642869 1.024438
P 0.440038 1.049929 -0.142811
O -0.159895 -0.278171 0.657943
O 2.003730 0.988768 0.387019
O 0.188538 1.127694 -1.595556
C -0.363484 4.059529 -0.200156
C -1.496819 -0.594251 0.375503
C 2.789244 -0.029915 -0.180315
C -2.397594 -0.537501 1.461416
C 3.025328 -1.192490 0.585452
C -4.118384 -1.417707 -0.029272
C 4.537020 -1.940071 -1.179836
C -3.712951 -0.956674 1.234825
C 3.909937 -2.141552 0.061823
C -1.483687 3.748444 -1.163221
C -0.640106 5.243618 0.703385
C -1.874254 -1.058017 -0.888041
C 3.403768 0.194668 -1.414814
C -3.195319 -1.465655 -1.084710
C 4.280406 -0.771653 -1.913045
C -1.955599 -0.041577 2.794496
C 2.341285 -1.389606 1.892268
C -5.531741 -1.857705 -0.235154
C 5.473231 -2.978203 -1.708666
H 0.607198 4.186609 -0.735108
H -1.739807 4.627969 -1.770164
H -1.214803 2.949092 -1.879574
H -2.406752 3.429670 -0.661312
H -0.741508 6.166344 0.113472
H 0.168045 5.418097 1.428238
H -1.572533 5.132820 1.274873
H -4.432093 -0.924417 2.051313
H 4.113915 -3.050262 0.625255
H -1.156294 -1.092396 -1.711210
H 3.199092 1.105038 -1.978039
H -3.502597 -1.823026 -2.065756
H 4.762346 -0.611509 -2.875196
H -0.889637 -0.257394 2.972900
H -2.070383 1.052372 2.861060
H -2.524753 -0.486047 3.619645
H 2.762946 -2.212700 2.479039
H 2.388637 -0.476887 2.507441
H 1.265991 -1.604566 1.739627
H -6.242524 -1.065657 0.040077
H -5.744023 -2.131834 -1.276677
H -5.766659 -2.736145 0.383384
H 4.958527 -3.938875 -1.855250
H 5.915497 -2.700086 -2.673927
H 6.305158 -3.156878 -1.012478


%chk=000179946-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179946

0 1
S 0.080827 2.982820 1.113200
P 0.656066 1.243849 -0.219593
O -0.130907 -0.214553 0.383872
O 2.242173 0.916234 0.407000
O 0.487845 1.506466 -1.783549
C -0.877491 4.006841 -0.234040
C -1.517861 -0.458281 0.149287
C 3.044858 -0.154749 -0.113438
C -2.338576 -0.656615 1.291720
C 3.363445 -1.219700 0.767870
C -4.238168 -1.114830 -0.244421
C 4.771300 -2.182233 -1.040803
C -3.694681 -0.988109 1.061059
C 4.237539 -2.217055 0.274695
C -2.334217 3.534629 -0.333227
C -0.730395 5.483239 0.170986
C -2.020172 -0.574115 -1.163514
C 3.551666 -0.081008 -1.424641
C -3.381916 -0.896584 -1.352468
C 4.413202 -1.101388 -1.884091
C -1.772615 -0.516711 2.689649
C 2.779754 -1.273419 2.163568
C -5.695621 -1.495432 -0.441516
C 5.699439 -3.282992 -1.525837
H -0.334355 3.797058 -1.172263
H -2.864286 4.138755 -1.095375
H -2.402065 2.475227 -0.634557
H -2.859546 3.657272 0.630807
H -1.243126 6.114183 -0.579650
H 0.328322 5.789380 0.217202
H -1.197646 5.682654 1.152694
H -4.347112 -1.149651 1.928918
H 4.504278 -3.050470 0.937503
H -1.353303 -0.407013 -2.015259
H 3.274238 0.758929 -2.069082
H -3.777649 -0.984347 -2.370910
H 4.810149 -1.052451 -2.904503
H -0.973723 -1.258885 2.873140
H -1.316779 0.479839 2.835083
H -2.558787 -0.657353 3.450630
H 3.119543 -2.175135 2.700406
H 3.068353 -0.383640 2.752027
H 1.674869 -1.279752 2.120918
H -6.357618 -0.936609 0.244798
H -6.029898 -1.295841 -1.474206
H -5.856645 -2.572825 -0.243093
H 5.196431 -4.268395 -1.511685
H 6.041998 -3.096091 -2.557911
H 6.595661 -3.367039 -0.882797


