%chk=000207452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207452

0 1
S 1.491786 2.572170 -1.581671
O -5.847330 -1.542592 0.134272
O -1.793763 3.320603 -0.876384
N 3.453330 0.666504 -1.497293
N 1.982498 0.572504 0.266027
N -1.089172 1.389005 0.180671
C 3.863656 -0.413900 -0.687288
C 2.938413 -0.455525 0.416226
C 2.316317 1.212051 -0.870037
C 4.921093 -1.332474 -0.800247
C 3.085969 -1.431372 1.420789
C 0.501449 3.210737 -0.221769
C -2.312254 0.638045 0.150040
C 5.036818 -2.280261 0.203307
C 4.132882 -2.328546 1.297843
C -0.908545 2.662872 -0.360252
C -2.266080 -0.688847 0.613984
C -3.528952 1.190265 -0.307015
C -4.622587 -0.906364 0.179068
C -3.425250 -1.469210 0.632483
C -4.683621 0.421766 -0.293564
C -5.909152 -2.914241 0.589447
H 3.882539 0.965966 -2.353981
H 5.611851 -1.294832 -1.636762
H 2.390467 -1.460801 2.257235
H 0.472642 4.321981 -0.316867
H 0.951752 3.005991 0.772869
H 5.841420 -3.014898 0.162240
H 4.278365 -3.098123 2.055899
H -0.270391 0.886793 0.561240
H -1.328208 -1.121925 0.960970
H -3.561383 2.223260 -0.676052
H -3.377750 -2.491134 0.993580
H -5.634522 0.822900 -0.640850
H -6.970878 -3.151465 0.441461
H -5.638331 -2.977384 1.647069
H -5.275779 -3.551618 -0.033889


%chk=000207452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207452

0 1
S 1.680710 2.816606 -1.750933
O -5.559049 -1.734885 0.349011
O -1.857235 3.668380 -0.650304
N 3.460266 0.688791 -1.408568
N 1.711089 0.653605 0.047919
N -0.970534 1.570078 -0.009612
C 3.653532 -0.456324 -0.610216
C 2.549133 -0.458505 0.306507
C 2.291633 1.313136 -0.971600
C 4.647842 -1.453426 -0.596651
C 2.429024 -1.481414 1.271857
C 0.548770 3.456359 -0.341737
C -2.139411 0.763867 0.068330
C 4.512121 -2.469921 0.375285
C 3.422461 -2.483574 1.292905
C -0.884005 2.901033 -0.360166
C -1.967182 -0.610046 0.377120
C -3.456496 1.265355 -0.140365
C -4.380160 -0.970470 0.272791
C -3.073954 -1.478452 0.480658
C -4.559043 0.400191 -0.037183
C -5.417590 -3.155840 0.665535
H 4.076467 1.031042 -2.144010
H 5.488583 -1.450624 -1.297708
H 1.595364 -1.486846 1.980854
H 0.503555 4.541332 -0.513388
H 1.080004 3.230448 0.597707
H 5.263073 -3.265577 0.424480
H 3.357631 -3.290402 2.030536
H -0.050935 1.094397 0.171565
H -0.956146 -1.006703 0.530270
H -3.592921 2.321075 -0.381477
H -2.904675 -2.533078 0.717465
H -5.576513 0.771141 -0.195000
H -6.443259 -3.553496 0.673874
H -4.952872 -3.304816 1.660444
H -4.819978 -3.684536 -0.103397


