%chk=000271043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271043

0 1
S 5.777452 -1.376154 -1.487865
O 6.124145 -0.893995 -2.809495
O 6.067409 -2.733216 -1.119404
N 6.786607 -0.302980 -0.521502
N 0.119548 -0.020872 -0.347444
N -0.244265 0.915097 0.402002
N -3.286745 2.571384 1.724035
N 5.856377 -1.027142 1.536490
N 7.775270 0.507090 1.485960
N -4.931504 -0.072070 -0.484431
N -1.037057 2.993968 2.114864
N -5.560522 2.267772 1.436220
N -6.166635 0.141044 -0.368877
C 4.166193 -0.946836 -1.113898
C 3.462971 -1.640933 -0.119899
C 3.542508 0.093202 -1.819757
C 1.529953 -0.252647 -0.531403
C 2.144528 -1.297775 0.180076
C 2.228520 0.450772 -1.533237
C 6.812185 -0.279274 0.864033
C -1.629245 1.149043 0.575736
C -2.673230 0.436041 -0.031015
C -4.017680 0.754489 0.210605
C -1.980390 2.237069 1.469514
C -4.297983 1.855924 1.115544
C -7.062649 -0.739597 -1.084069
C 7.772314 0.512898 2.838322
C 5.900458 -0.990850 2.891799
C 6.847512 -0.230988 3.592304
C -6.765433 -2.073603 -1.413829
C -8.323952 -0.191986 -1.387510
C -7.734880 -2.856213 -2.044596
C -9.279050 -0.987258 -2.022191
C -8.988724 -2.316854 -2.349562
H 3.952063 -2.457373 0.429731
H 4.089930 0.625975 -2.607483
H 1.594380 -1.836912 0.949955
H 1.739886 1.256001 -2.079751
H 7.509092 0.271231 -0.993575
H -2.431639 -0.393289 -0.713984
H 8.539376 1.134379 3.319817
H 5.145358 -1.594024 3.412523
H -0.051890 2.823466 1.978607
H -1.313413 3.748487 2.725073
H 6.869960 -0.219320 4.675886
H -5.698433 3.038001 2.075251
H -6.382896 1.815579 1.048955
H -5.784928 -2.489482 -1.179592
H -8.546065 0.842961 -1.131901
H -7.510281 -3.891025 -2.301329
H -10.255855 -0.569777 -2.263604
H -9.740050 -2.931326 -2.842700


%chk=000271043-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271043

0 1
S 6.185049 0.047902 -0.968267
O 6.828614 1.445115 -1.495492
O 6.515033 -1.357594 -1.696329
N 6.801234 0.051293 0.783751
N 0.149914 0.663565 -0.614009
N -0.359541 1.879298 -0.570332
N -3.660542 3.531590 -0.370361
N 5.724522 -1.957843 1.416705
N 7.572683 -1.001042 2.718729
N -4.853487 -0.080262 -0.440281
N -1.480756 4.366203 -0.442674
N -5.850912 2.714250 -0.294681
N -6.163701 0.099532 -0.370781
C 4.326202 0.261026 -0.811380
C 3.520850 -0.887242 -0.752913
C 3.829284 1.578406 -0.821852
C 1.575197 0.618298 -0.683869
C 2.127443 -0.693650 -0.691480
C 2.436352 1.754010 -0.754456
C 6.695883 -1.018862 1.659200
C -1.758434 1.949455 -0.506954
C -2.659235 0.862182 -0.503584
C -4.052716 1.071403 -0.434831
C -2.323645 3.292652 -0.439170
C -4.516490 2.466779 -0.365774
C -6.935843 -1.103081 -0.382306
C 7.436581 -2.015713 3.616817
C 5.639657 -2.966801 2.328009
C 6.476981 -3.044090 3.464231
C -6.380807 -2.411330 -0.478110
C -8.343960 -0.937516 -0.291839
C -7.234792 -3.529638 -0.481708
C -9.191614 -2.064551 -0.295479
C -8.640762 -3.364414 -0.390361
H 3.975112 -1.881004 -0.744675
H 4.517123 2.426290 -0.902192
H 1.440019 -1.543520 -0.645145
H 1.997053 2.754910 -0.761713
H 7.582773 0.706525 0.910281
H -2.272872 -0.159706 -0.555368
H 8.126821 -1.996836 4.467343
H 4.873466 -3.725136 2.132728
H -0.477652 4.185806 -0.492923
H -1.865689 5.307069 -0.396043
H 6.389753 -3.859710 4.185139
H -6.169525 3.682638 -0.249583
H -6.460707 1.862714 -0.294413
H -5.294543 -2.518345 -0.547603
H -8.752332 0.076481 -0.219137
H -6.809953 -4.537002 -0.556212
H -10.276593 -1.931409 -0.225204
H -9.297894 -4.240995 -0.394047


