%chk=000275639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000275639

0 1
S -2.678902 -1.109756 -0.298071
O -2.172302 -1.855986 0.849851
O -3.599708 -1.756413 -1.217014
O 1.330485 2.136041 0.680224
O 2.767720 1.673769 -1.019557
N -1.371098 0.400868 -2.127657
N -0.283754 1.239624 -1.981245
C -1.187101 -0.826467 -1.287761
C -3.448706 0.391937 0.329969
C 0.079446 -0.534295 -0.430846
C 0.502239 0.813845 -1.024639
C -4.518720 -0.099265 1.312331
C -2.410630 1.240043 1.056183
C -4.098753 1.157389 -0.817920
C 1.091154 -1.647815 -0.527781
C 0.833926 -2.822788 0.200322
C 2.245270 -1.552579 -1.313394
C 1.677192 1.567211 -0.518344
C 1.731288 -3.889143 0.142295
C 3.143151 -2.624809 -1.363960
C 2.889156 -3.791703 -0.639111
C 2.362498 2.888073 1.404440
C 3.319501 1.928199 2.075523
H -1.020811 -1.743136 -1.912592
H -0.175888 -0.385745 0.654097
H -1.604281 0.220652 -3.115727
H -4.092735 -0.711517 2.122363
H -5.297158 -0.697226 0.816824
H -5.030232 0.745496 1.791453
H -1.659761 1.673340 0.382474
H -2.891277 2.097284 1.551224
H -1.891321 0.682502 1.848305
H -4.711754 0.505743 -1.459164
H -4.766625 1.941919 -0.436558
H -3.364973 1.665600 -1.458501
H -0.077557 -2.899999 0.807400
H 2.461735 -0.646856 -1.883646
H 1.529056 -4.798755 0.706422
H 4.043084 -2.544682 -1.972273
H 3.589012 -4.624240 -0.681177
H 2.863777 3.567324 0.692246
H 1.734609 3.454646 2.116620
H 4.007666 2.452593 2.749728
H 2.788181 1.169765 2.665782
H 3.932303 1.389510 1.336063


%chk=000275639-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000275639

0 1
S -2.310543 0.571568 -0.445221
O -1.068421 0.455372 0.932385
O -2.432708 -0.885042 -1.208785
O 1.495807 1.300344 0.265952
O 2.741012 2.693297 -1.142259
N 0.179680 0.606672 -3.883464
N 0.815552 1.604109 -3.174836
C 0.243060 -0.630945 -3.275396
C -3.850491 0.514671 0.854544
C 0.968906 -0.463370 -2.083949
C 1.292331 0.943105 -2.065075
C -3.700087 -0.808586 1.610532
C -3.714122 1.763101 1.734674
C -5.086546 0.536001 -0.060285
C 1.349512 -1.540507 -1.142222
C 0.388111 -2.500221 -0.724416
C 2.684979 -1.651608 -0.669917
C 1.947183 1.741498 -1.003461
C 0.764467 -3.555093 0.135339
C 3.055168 -2.703043 0.195526
C 2.096525 -3.662651 0.598461
C 2.099725 1.962151 1.468548
C 3.434386 1.309214 1.833223
H -0.206329 -1.522458 -3.703694
H -0.148134 0.638939 0.547195
H -0.283675 0.854735 -4.755254
H -2.787591 -0.810643 2.228210
H -3.645863 -1.652581 0.899199
H -4.581179 -0.957429 2.264471
H -3.753643 2.694902 1.139963
H -4.555459 1.789907 2.454205
H -2.769357 1.741350 2.302003
H -5.079573 -0.325596 -0.751282
H -5.997979 0.468576 0.563632
H -5.152166 1.467965 -0.652244
H -0.655447 -2.379660 -1.038037
H 3.437983 -0.926724 -1.001964
H 0.012393 -4.284658 0.456325
H 4.091450 -2.782011 0.543807
H 2.384605 -4.482033 1.266850
H 2.217110 3.036448 1.243840
H 1.335124 1.815918 2.248265
H 3.810368 1.741672 2.779083
H 3.313287 0.221305 1.970805
H 4.188990 1.492235 1.049920


