%chk=000277906.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277906

0 1
S -2.640972 0.772580 1.122461
O -2.282615 0.423991 2.472934
O -3.565032 1.869728 0.898911
N -0.230966 0.430920 0.186359
N -1.217266 1.360307 0.296211
C 1.512237 2.078741 -0.612959
C 1.976164 2.824281 0.656567
C 2.662147 1.997173 -1.635265
C 2.483200 4.229148 0.305078
C 3.165543 3.402013 -1.993463
C 3.606181 4.172193 -0.740404
C 0.972764 0.710719 -0.230669
C 1.895702 -0.455867 -0.308910
C 2.781546 -0.716792 0.746733
C 1.883716 -1.283793 -1.441321
C 3.661540 -1.798992 0.660340
C 2.767709 -2.363274 -1.519223
C 3.658214 -2.620609 -0.471689
C -3.134182 -0.610949 0.241338
C -2.435667 -1.818179 0.365085
C -4.250018 -0.535120 -0.603275
C -3.973872 -2.873323 -1.187253
C -2.852091 -2.945289 -0.344597
C -4.670959 -1.657156 -1.313469
C -4.414601 -4.072932 -1.956783
H 0.684457 2.665700 -1.089772
H 2.780994 2.247928 1.152999
H 1.152393 2.888329 1.390882
H 2.323418 1.467727 -2.544641
H 3.496265 1.395056 -1.223491
H 2.845534 4.735197 1.219796
H 1.648098 4.848241 -0.074843
H 2.372083 3.965350 -2.520679
H 4.009399 3.326018 -2.704573
H 3.916426 5.196872 -1.016671
H 4.499985 3.688491 -0.301157
H 2.775048 -0.083102 1.632170
H 1.183423 -1.086445 -2.250756
H -1.042702 2.363517 0.145830
H 4.349311 -2.003842 1.479285
H 2.761202 -3.006295 -2.397552
H 4.345812 -3.461384 -0.535763
H -1.556259 -1.881653 1.017947
H -4.797197 0.410833 -0.702407
H -2.302871 -3.879572 -0.243789
H -5.539377 -1.592114 -1.965840
H -4.171772 -5.014600 -1.444480
H -5.497903 -4.080364 -2.141983
H -3.920088 -4.106111 -2.940545


%chk=000277906-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277906

0 1
S -2.532136 0.567050 1.276198
O -2.071329 -0.122358 2.676813
O -3.516024 1.863801 1.242710
N 0.005358 0.280004 0.213516
N -1.003066 1.206815 0.219052
C 1.644631 2.021613 -0.500567
C 2.122200 2.860250 0.728652
C 2.650659 2.141724 -1.678624
C 2.338299 4.340871 0.334341
C 2.856278 3.626255 -2.064892
C 3.322280 4.469104 -0.853042
C 1.251980 0.588877 -0.121268
C 2.199426 -0.562711 -0.147530
C 3.578115 -0.414257 0.170436
C 1.717793 -1.862849 -0.472856
C 4.444606 -1.529010 0.161989
C 2.584951 -2.973132 -0.486198
C 3.955761 -2.812405 -0.171510
C -3.187705 -0.776276 0.147409
C -2.834728 -2.105038 0.426758
C -4.031990 -0.399925 -0.909342
C -4.215169 -2.788292 -1.501844
C -3.362564 -3.110885 -0.413303
C -4.545578 -1.425031 -1.731953
C -4.755673 -3.874936 -2.413074
H 0.709718 2.504469 -0.866967
H 3.072596 2.443451 1.116722
H 1.390532 2.785120 1.557659
H 2.275852 1.565803 -2.546291
H 3.626126 1.699376 -1.404609
H 2.711907 4.910120 1.207122
H 1.364190 4.791445 0.051400
H 1.903185 4.041620 -2.453730
H 3.594006 3.699512 -2.887053
H 3.428643 5.531524 -1.145079
H 4.326927 4.122690 -0.532426
H 3.974573 0.562732 0.462761
H 0.656347 -1.978020 -0.713565
H -0.819247 2.157849 0.609996
H 5.500768 -1.395618 0.421753
H 2.195718 -3.963962 -0.746578
H 4.631351 -3.674921 -0.184329
H -2.189089 -2.338821 1.279007
H -4.291763 0.651818 -1.065749
H -3.110013 -4.159230 -0.217691
H -5.214356 -1.163736 -2.560145
H -4.750897 -4.860880 -1.917853
H -5.789349 -3.656867 -2.734276
H -4.139998 -3.961439 -3.329244


