%chk=000232629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232629

0 1
S 0.744936 -0.695806 -1.542499
O 0.898291 0.492348 -2.402186
O 0.639722 -1.986910 -2.172617
O -1.969812 -3.632094 0.109532
O 0.076641 -2.905677 0.087438
O 2.736712 3.302093 1.198497
O -5.019661 1.775732 0.809105
O -5.267497 -0.268724 1.485179
N 2.116831 1.814472 -0.459535
N -1.130745 -2.760515 0.030585
N -4.651751 0.622136 0.932294
C 1.942150 -0.619867 -0.335177
C -0.823008 -0.375837 -0.726727
C 2.466337 0.592100 0.172129
C -1.609624 -1.349064 -0.105886
C -1.308483 0.929386 -0.804625
C 2.442311 -1.836502 0.179144
C -2.866857 -1.050007 0.432580
C 3.349543 0.568718 1.276506
C -3.320974 0.272593 0.354229
C -2.553947 1.268898 -0.259010
C 3.341931 -1.856942 1.233530
C 3.773963 -0.643401 1.799382
C 2.335420 3.120807 0.070112
C 1.996099 4.214765 -0.897333
H -0.723621 1.705856 -1.320659
H 2.115051 -2.788488 -0.270748
H -3.488568 -1.831195 0.900787
H 3.701564 1.510438 1.715055
H -2.933046 2.297951 -0.315295
H 3.710720 -2.803227 1.625522
H 1.778433 1.747933 -1.458953
H 4.460898 -0.657758 2.649310
H 2.681408 4.230159 -1.759547
H 2.084817 5.198024 -0.403467
H 0.975018 4.144106 -1.295453


%chk=000232629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232629

0 1
S 0.772116 -0.725348 -1.571040
O 0.945569 0.649782 -2.481429
O 0.707376 -2.151150 -2.336683
O -1.994961 -3.273197 1.301892
O 0.053249 -2.743239 0.449731
O 3.023032 3.264123 1.360835
O -5.373739 1.897402 0.140079
O -5.534670 -0.024860 1.362804
N 2.167960 1.778943 -0.253671
N -1.190686 -2.497026 0.667930
N -4.910857 0.775570 0.571335
C 2.174278 -0.690985 -0.297302
C -0.985286 -0.364666 -0.714468
C 2.661097 0.544105 0.225442
C -1.722161 -1.207230 0.148396
C -1.548478 0.836922 -1.174852
C 2.716031 -1.947245 0.017901
C -3.016251 -0.842528 0.572412
C 3.692326 0.443033 1.205135
C -3.545623 0.376498 0.116899
C -2.836401 1.226784 -0.754157
C 3.767297 -2.007637 0.954642
C 4.225080 -0.812471 1.557357
C 2.382879 3.053432 0.290564
C 1.767923 4.188064 -0.522184
H -0.971151 1.442706 -1.883251
H 2.317800 -2.846967 -0.459142
H -3.583881 -1.497270 1.239582
H 4.058680 1.365526 1.659041
H -3.293568 2.160105 -1.092716
H 4.204715 -2.974430 1.218975
H 1.676925 1.716389 -1.165459
H 5.024936 -0.853014 2.304432
H 2.561433 4.907153 -0.788543
H 1.039372 4.728432 0.107068
H 1.268840 3.850795 -1.446358


