%chk=000182847.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182847

0 1
S 1.210440 3.976064 0.512497
S -0.386977 3.348075 -0.641668
O -4.461630 1.042552 0.234202
N 1.751782 1.328866 0.059685
N -1.870471 1.300628 0.149961
N 0.474072 0.875389 0.242141
N 3.977527 1.381059 -0.221486
N 3.590077 2.640381 -0.022139
C 2.891675 0.528065 -0.191548
C 2.945323 -0.915444 -0.408786
C -2.372360 0.010752 0.517823
C 2.241919 2.658837 0.159130
C -0.556652 1.668500 -0.014877
C -3.798985 -0.124159 0.567092
C 1.973368 -1.786126 0.109053
C 4.026113 -1.435995 -1.148173
C -1.592078 -1.102903 0.831006
C -4.401836 -1.326670 0.918289
C 2.078909 -3.161149 -0.116440
C 4.122539 -2.810592 -1.367375
C -2.204092 -2.316137 1.184358
C -3.589704 -2.429011 1.228685
C 3.149699 -3.675258 -0.853538
C -5.909685 1.031792 0.267170
H -2.594058 2.018021 -0.019424
H 1.127786 -1.396904 0.688454
H 4.790276 -0.760532 -1.542223
H -0.493075 -1.055819 0.806567
H -5.482658 -1.427289 0.955660
H 1.323276 -3.833627 0.285720
H 4.959483 -3.209682 -1.939078
H -1.576862 -3.173386 1.426162
H -4.056295 -3.374336 1.504784
H 3.228166 -4.747377 -1.026818
H -6.263631 0.822029 1.280999
H -6.299042 0.314601 -0.461649
H -6.145842 2.062885 -0.028415


%chk=000182847-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182847

0 1
S 1.192045 4.004271 0.600237
S -0.491323 3.292011 -0.892781
O -4.453088 1.006279 0.203356
N 1.766004 1.339364 0.026837
N -1.862936 1.214302 0.171378
N 0.470457 0.862005 0.267724
N 3.989170 1.354660 -0.316322
N 3.592162 2.683242 -0.066171
C 2.884594 0.546540 -0.279889
C 2.934650 -0.892279 -0.554632
C -2.356161 -0.021616 0.661550
C 2.251786 2.655959 0.147003
C -0.567007 1.622781 -0.055559
C -3.783862 -0.137027 0.678542
C 1.784962 -1.682724 -0.831385
C 4.219891 -1.510054 -0.565066
C -1.569178 -1.097744 1.132569
C -4.406018 -1.309973 1.143762
C 1.920644 -3.061207 -1.100257
C 4.345637 -2.885610 -0.835072
C -2.199273 -2.274309 1.598606
C -3.605636 -2.384695 1.602699
C 3.196626 -3.669850 -1.100889
C -5.918344 0.998094 0.199587
H -2.603395 1.894145 -0.038585
H 0.796053 -1.219831 -0.847789
H 5.098564 -0.890894 -0.360731
H -0.483719 -0.994885 1.145967
H -5.496199 -1.397536 1.153862
H 1.027553 -3.657925 -1.316219
H 5.338378 -3.348533 -0.837531
H -1.581950 -3.100723 1.964807
H -4.087736 -3.298262 1.965611
H 3.296578 -4.740583 -1.310570
H -6.314528 0.868432 1.224221
H -6.306015 0.198680 -0.459343
H -6.212890 1.981594 -0.193727


