%chk=000291838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291838

0 1
S -4.700090 -2.179781 -0.105603
O 1.897275 3.494179 -0.308184
O -4.916785 -2.270692 -1.775460
O -3.617373 -3.087990 0.161338
O -5.994991 -2.371583 0.481302
O 6.001022 -2.839283 0.263854
O 7.031686 -0.954747 -0.005544
N 1.178392 1.238560 -0.046190
N -0.048856 0.587716 0.058396
N 3.537404 1.159497 -0.130741
N 6.021771 -1.628741 0.115719
C -1.023176 1.477641 -0.009212
C -0.492399 2.887302 -0.172273
C -2.443393 1.134997 0.056588
C 1.022515 2.695831 -0.198554
C -2.848523 -0.210009 -0.039574
C -4.205200 -0.534110 0.023005
C -3.417247 2.139086 0.216813
C 2.360868 0.455613 0.002958
C -5.169169 0.466628 0.184540
C -4.770724 1.803910 0.281738
C 2.326475 -0.951497 0.178242
C 3.529080 -1.641112 0.215986
C 4.735902 -0.926703 0.079983
C 4.697932 0.476855 -0.091849
H -0.844646 3.370976 -1.106439
H -0.784934 3.559176 0.659798
H -2.092868 -1.001692 -0.156680
H -3.120757 3.186707 0.294835
H -6.234156 0.206976 0.241664
H -5.520837 2.586153 0.408934
H 1.373210 -1.476876 0.281728
H 3.555681 -2.730490 0.349877
H 5.627466 1.064195 -0.201148
H -4.876255 -3.153291 -2.171347


%chk=000291838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291838

0 1
S -4.641400 -2.304312 0.038798
O 1.957214 3.629292 0.010126
O -4.730299 -2.468479 -1.807978
O -3.414423 -3.203300 0.586763
O -6.130033 -2.472699 0.647745
O 5.882129 -3.000539 0.073440
O 7.054813 -1.042799 -0.060393
N 1.206486 1.323262 0.002667
N -0.043958 0.654490 0.014226
N 3.562755 1.191158 -0.070607
N 5.951102 -1.710910 0.007108
C -1.005300 1.572281 0.012632
C -0.461126 2.980541 0.003357
C -2.422088 1.190105 0.018598
C 1.064041 2.766784 0.003321
C -2.794535 -0.184645 0.009349
C -4.155809 -0.489169 0.019451
C -3.442328 2.180896 0.031791
C 2.375869 0.524467 0.005649
C -5.189840 0.463450 0.037926
C -4.807471 1.823418 0.045368
C 2.267763 -0.895120 0.083207
C 3.452784 -1.644347 0.084210
C 4.685943 -0.954605 0.008500
C 4.702801 0.457344 -0.067530
H -0.758579 3.560041 -0.889233
H -0.755116 3.571432 0.889483
H -2.030936 -0.968561 0.007514
H -3.169049 3.241537 0.037619
H -6.238963 0.153618 0.060459
H -5.576886 2.601100 0.059938
H 1.287848 -1.369929 0.140584
H 3.444791 -2.735696 0.142889
H 5.648996 1.002132 -0.128912
H -5.002897 -3.408838 -2.019568


