%chk=000281342.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281342

0 1
S 3.092277 1.465731 0.153886
O 3.455933 2.661587 -0.574919
O 3.727373 1.153788 1.401493
N 3.521509 0.246917 -1.032384
N -2.815285 1.352141 0.721213
N 3.840005 -1.976262 -1.819986
N 2.515432 -1.514146 0.196987
N -3.542893 0.406994 0.382531
N -6.269344 0.520689 -1.640886
N -5.798450 -1.283585 2.272647
C 1.380059 1.380460 0.293604
C 0.575935 2.095788 -0.604002
C 0.798437 0.613095 1.308579
C -0.813294 2.047203 -0.497799
C -0.593199 0.548749 1.431271
C -1.384402 1.270464 0.526422
C 3.294328 -1.114807 -0.877796
C 3.593327 -3.295413 -1.648865
C 2.301909 -2.848977 0.327167
C 2.825080 -3.783078 -0.576566
C -5.016796 0.627721 0.658663
C -5.716293 0.557727 -0.629976
C -5.454014 -0.449386 1.555219
H 1.037482 2.706671 -1.391205
H 1.433279 0.051880 2.010170
H 4.098127 0.514389 -1.852028
H -1.442652 2.603590 -1.192221
H -1.048651 -0.054024 2.216537
H 4.030743 -3.969741 -2.398046
H 1.690412 -3.155803 1.185844
H 2.646060 -4.846010 -0.454330
H -5.245633 1.632548 1.148974


%chk=000281342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281342

0 1
S 3.030402 1.263522 0.433153
O 3.543311 2.708004 -0.105106
O 3.503873 0.669101 1.859656
N 3.535555 0.170627 -0.970396
N -3.044274 1.458065 0.196651
N 4.317004 -1.856853 -1.819822
N 2.604010 -1.807697 -0.064652
N -3.727836 0.585228 0.866065
N -6.286886 -1.301122 -0.518700
N -6.311196 1.386334 3.042306
C 1.140516 1.245798 0.352997
C 0.532983 2.244492 -0.422272
C 0.446645 0.289094 1.116205
C -0.877290 2.273101 -0.443693
C -0.958356 0.330594 1.090478
C -1.614340 1.320159 0.304491
C 3.485600 -1.218868 -0.933566
C 4.230877 -3.216370 -1.838149
C 2.568666 -3.170118 -0.095768
C 3.366342 -3.933715 -0.978040
C -5.231165 0.848147 0.661295
C -5.829215 -0.344404 0.023779
C -5.841097 1.130218 1.978156
H 1.138940 2.976071 -0.965161
H 1.000414 -0.456354 1.692372
H 4.258370 0.610271 -1.555150
H -1.422831 3.021471 -1.026016
H -1.555873 -0.384633 1.662783
H 4.883388 -3.727610 -2.553923
H 1.876541 -3.648949 0.605164
H 3.319735 -5.024547 -0.991184
H -5.366011 1.727843 -0.003757


