%chk=000237368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237368

0 1
S -2.709120 0.006221 -0.439752
S 2.709153 -0.008208 -0.440431
O -2.527377 -0.967322 -1.494621
O -3.090336 1.361835 -0.772569
O 2.526574 0.963853 -1.496517
O 3.091183 -1.364007 -0.771567
N -3.862822 -0.670050 0.658469
N 3.862661 0.670205 0.656680
C 0.000022 -0.001007 -0.294248
C -1.260462 0.064973 0.571231
C 1.260735 -0.066637 0.570924
C -4.402434 0.207388 1.730141
C -4.856958 -1.597921 0.054678
C 4.402860 -0.205447 1.729517
C 4.856232 1.597726 0.051425
C -5.229366 1.379440 1.264862
C -5.978252 -0.936004 -0.701828
C 5.230324 -1.377746 1.265806
C 5.977584 0.935365 -0.704605
C -6.355561 1.751815 1.866759
C -7.154171 -1.525486 -0.903921
C 6.356729 -1.748753 1.868156
C 7.152767 1.525600 -0.908780
H -0.049773 -0.891494 -0.966468
H 0.049642 0.889202 -0.966855
H -1.243390 0.987075 1.187889
H -1.252941 -0.766412 1.307699
H 1.253350 0.764990 1.307118
H 1.243860 -0.988545 1.187888
H -4.990969 -0.435290 2.429889
H -3.542063 0.588644 2.330743
H -4.307719 -2.288610 -0.640911
H -5.257903 -2.244798 0.870508
H 4.991160 0.438521 2.428277
H 3.542763 -0.586286 2.330775
H 4.306466 2.287324 -0.644826
H 5.257190 2.245775 0.866320
H -4.824436 1.926986 0.402132
H -5.761956 0.060034 -1.096742
H 4.825607 -1.926678 0.403858
H 5.761989 -0.061689 -1.097332
H -6.934467 2.608469 1.548099
H -6.793304 1.240872 2.711654
H -7.953248 -1.064312 -1.467680
H -7.413759 -2.506288 -0.534128
H 6.936025 -2.605572 1.550648
H 6.794276 -1.236436 2.712320
H 7.951881 1.064070 -1.472195
H 7.411653 2.507414 -0.541189


%chk=000237368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237368

0 1
S -2.828556 -0.006248 -0.285919
S 2.828495 0.006692 -0.286436
O -2.846312 -1.430365 -1.086035
O -2.858108 1.420122 -1.081903
O 2.846012 1.430349 -1.087371
O 2.857944 -1.420133 -1.081615
N -4.167052 -0.011960 1.069884
N 4.167271 0.013396 1.069081
C -0.000007 0.000394 -0.073678
C -1.243320 -0.001214 0.823269
C 1.243468 0.002169 0.823048
C -4.925963 1.279506 1.091710
C -4.912875 -1.310905 1.094953
C 4.925433 -1.278486 1.092483
C 4.913767 1.312019 1.092492
C -5.942854 1.555474 -0.003321
C -5.914246 -1.608598 -0.009169
C 5.942913 -1.556056 -0.001593
C 5.913903 1.608636 -0.013049
C -7.213716 1.959146 0.236865
C -7.182444 -2.026504 0.220331
C 7.213154 -1.960916 0.239881
C 7.182759 2.025558 0.214576
H 0.001119 -0.895970 -0.721429
H -0.001246 0.896616 -0.721619
H -1.364054 0.908122 1.432975
H -1.359508 -0.909169 1.435902
H 1.359865 0.910279 1.435404
H 1.364213 -0.907015 1.432985
H -5.411847 1.311543 2.087066
H -4.164348 2.083281 1.073019
H -4.143196 -2.107184 1.093824
H -5.410318 -1.337935 2.084756
H 5.410606 -1.310041 2.088203
H 4.163354 -2.081830 1.073926
H 4.144462 2.108647 1.091870
H 5.412446 1.339348 2.081662
H -5.561760 1.497494 -1.031979
H -5.521879 -1.555045 -1.033781
H 5.562731 -1.498255 -1.030596
H 5.520044 1.555220 -1.037097
H -7.898315 2.211406 -0.580234
H -7.612627 2.043581 1.256363
H -7.854342 -2.294850 -0.602195
H -7.592027 -2.106905 1.235919
H 7.898181 -2.214339 -0.576496
H 7.611099 -2.045241 1.259767
H 7.853730 2.293135 -0.608961
H 7.593846 2.105832 1.229565


