%chk=000271595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271595

0 1
S 0.798588 -3.865592 -0.246821
O -1.035229 2.558975 -1.105547
O -4.103541 -1.526121 0.436459
O 0.726907 -4.310010 -1.867778
O 2.207499 -3.771557 0.029038
O -0.014216 -4.834787 0.455817
N 1.157905 1.061785 -1.255438
N -2.156888 -3.229145 0.233880
N 6.458791 1.757407 0.623147
C -1.074018 0.261804 -0.481513
C -1.906561 -0.825699 -0.115940
C 0.291523 0.060447 -0.747193
C -1.367325 -2.151334 -0.049445
C 0.037101 -2.335974 -0.297643
C -3.008136 1.880820 -0.024215
C -3.817650 0.799612 0.353343
C -1.650602 1.642523 -0.584946
C -3.322955 -0.604184 0.223868
C 0.827384 -1.257419 -0.635240
C -3.482715 3.191903 0.104500
C -5.102556 1.032074 0.857043
C 2.489257 1.199827 -0.716111
C -4.765136 3.420955 0.617066
C -5.572951 2.344140 0.990984
C 3.462165 1.760240 -1.568704
C 2.841467 0.800176 0.582803
C 5.135977 1.491052 0.177212
C 4.771179 1.904221 -1.127993
C 4.156084 0.934763 1.024601
C 6.999052 0.933137 1.732067
H 1.903956 -1.394041 -0.839523
H 0.709461 1.969801 -1.486133
H -2.845316 4.026680 -0.202468
H -5.729526 0.180151 1.139386
H -1.780333 -4.169768 0.403588
H -3.164061 -3.110109 0.409632
H -5.132644 4.442520 0.720114
H -6.573699 2.522503 1.386330
H 3.186391 2.073569 -2.576313
H 2.091428 0.387398 1.256490
H 5.514585 2.343940 -1.789672
H 4.413558 0.618674 2.033026
H 1.390762 -4.946522 -2.172453
H 7.137034 1.862525 -0.134709
H 6.959231 -0.152322 1.544236
H 6.438246 1.143470 2.660431
H 8.047730 1.218595 1.917235


%chk=000271595-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271595

0 1
S 0.741482 -3.956273 -0.118926
O -0.911236 2.713776 -0.398392
O -4.295684 -1.602367 0.375565
O 0.451756 -4.216491 -1.933981
O 2.329724 -3.832885 0.150751
O -0.121188 -5.080500 0.682818
N 1.147416 1.212583 -0.286018
N -2.303501 -3.236319 0.361153
N 6.790648 1.622897 0.180304
C -1.137297 0.322431 -0.094673
C -2.019237 -0.808302 0.079884
C 0.296175 0.130361 -0.159965
C -1.497459 -2.156310 0.148332
C -0.070323 -2.273254 -0.015373
C -3.139885 1.880406 -0.060186
C -4.009220 0.768054 0.131838
C -1.682613 1.681375 -0.193587
C -3.474719 -0.612523 0.202407
C 0.799041 -1.208701 -0.164573
C -3.680336 3.191758 -0.130819
C -5.407318 0.981261 0.251633
C 2.558236 1.250607 -0.152117
C -5.066446 3.393392 -0.007794
C -5.933749 2.283682 0.183842
C 3.276482 2.214743 -0.916684
C 3.286764 0.435207 0.756634
C 5.407353 1.496750 0.089562
C 4.666745 2.339007 -0.798645
C 4.683548 0.547849 0.872282
C 7.626905 0.804756 1.055654
H 1.864994 -1.397781 -0.323672
H 0.605744 2.107248 -0.431404
H -2.988560 4.025692 -0.281837
H -6.049713 0.107525 0.395872
H -1.896913 -4.169186 0.492061
H -3.316366 -3.019816 0.438443
H -5.479467 4.406510 -0.060397
H -7.013202 2.443816 0.277844
H 2.729309 2.857347 -1.615538
H 2.760407 -0.264491 1.413584
H 5.196092 3.085377 -1.404003
H 5.207896 -0.093057 1.586993
H 0.788327 -5.131214 -2.166692
H 7.240490 2.336028 -0.390617
H 7.519107 -0.275336 0.831503
H 7.382678 0.957985 2.126660
H 8.684317 1.077486 0.906771


