%chk=000285628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285628

0 1
S 0.288386 1.369962 -0.315649
O 0.238097 2.435733 0.660162
O 0.119648 1.603486 -1.733764
O -2.594754 1.595719 -0.278687
N -3.241047 -0.542103 0.135691
C -0.828679 0.060979 0.187830
C -2.267192 0.451676 -0.013364
C 1.810182 0.548868 -0.104947
C -4.671295 -0.173105 -0.072566
C -2.945571 -1.968271 0.408601
C 2.387877 -0.140532 -1.174654
C 2.481567 0.620417 1.118661
C -5.396124 0.018653 1.257748
C -2.625641 -2.741204 -0.871811
C 4.278864 -0.739997 0.221753
C 3.611863 -0.790974 -1.014898
C 3.706010 -0.026611 1.289213
C 5.596722 -1.418410 0.393057
H -0.593472 -0.870804 -0.365183
H -0.664155 -0.188326 1.256202
H -4.709670 0.777114 -0.664091
H -5.164428 -0.958776 -0.683771
H -2.104082 -2.047923 1.131851
H -3.827184 -2.424864 0.916196
H 1.885370 -0.159980 -2.148787
H 2.053252 1.198432 1.945709
H -5.394789 -0.888184 1.870302
H -4.926966 0.815926 1.851689
H -6.440027 0.310677 1.093663
H -3.464361 -2.713107 -1.579731
H -1.759520 -2.325416 -1.400362
H -2.412484 -3.794044 -0.656536
H 4.055935 -1.325111 -1.852247
H 4.223128 0.033752 2.244565
H 5.770060 -1.749614 1.426187
H 5.703612 -2.302490 -0.250363
H 6.420069 -0.732946 0.134431


%chk=000285628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285628

0 1
S 0.111430 -0.800399 -0.794796
O -0.315390 0.642876 -1.436615
O -0.024758 -2.184838 -1.668017
O -2.092689 0.685250 1.959209
N -3.227662 -0.375708 0.219573
C -0.926149 -1.113534 0.872027
C -2.127229 -0.194190 1.032989
C 1.902587 -0.667256 -0.204848
C -4.415067 0.473277 0.498382
C -3.329223 -1.345644 -0.899848
C 2.713478 -1.807080 -0.301056
C 2.361739 0.578084 0.256231
C -5.300630 -0.115140 1.617721
C -3.360807 -0.673531 -2.291120
C 4.573394 -0.461768 0.605856
C 4.060129 -1.690241 0.114319
C 3.708776 0.665910 0.667277
C 6.023635 -0.338054 1.036054
H -1.138852 -2.191113 0.796688
H -0.209217 -0.887060 1.673659
H -4.053360 1.471711 0.797430
H -4.987333 0.575860 -0.439531
H -2.472200 -2.039851 -0.868700
H -4.245773 -1.950023 -0.746470
H 2.309148 -2.740448 -0.707077
H 1.697400 1.448491 0.274570
H -5.659738 -1.128283 1.359623
H -4.733911 -0.168319 2.562506
H -6.183690 0.529386 1.780844
H -4.256969 -0.040938 -2.423534
H -2.461626 -0.051643 -2.434640
H -3.376177 -1.453371 -3.073493
H 4.718627 -2.563707 0.050155
H 4.095166 1.623334 1.035849
H 6.107966 0.126271 2.035353
H 6.523297 -1.320508 1.072721
H 6.590877 0.300797 0.332808


