%chk=000277143.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277143

0 1
S -5.325969 -2.130168 -0.026911
O 0.121927 2.458839 0.414238
O 3.250237 -1.074719 1.843593
O 0.498873 3.292600 -1.658306
O 4.118626 -0.222718 -0.065515
O -1.844579 -0.628984 -2.652773
N -1.058219 0.297539 -0.720058
N -3.023022 -1.150008 0.735805
N -4.448791 -1.830074 2.573758
C 0.123387 0.881232 -1.379046
C 1.420341 0.102994 -1.091773
C 1.712322 -0.075300 0.398114
C 0.272881 2.347415 -0.947324
C 3.152169 -0.437440 0.626852
C -1.963320 -0.470224 -1.447553
C -3.106501 -1.053408 -0.671652
C 0.241244 3.790444 1.015809
C 4.570829 -1.525847 2.282903
C 1.701223 4.171650 1.127880
C -4.244216 -1.536652 -1.251450
C 4.955139 -2.790844 1.544695
C -4.128853 -1.696784 1.235102
H -0.051563 0.881544 -2.503194
H 2.275161 0.617754 -1.589127
H 1.353955 -0.891475 -1.584267
H 1.045385 -0.844233 0.847292
H 1.484652 0.863250 0.964284
H -1.120518 0.388764 0.297576
H -0.340185 4.502795 0.403330
H -0.246407 3.619797 1.992730
H 5.292517 -0.705094 2.123508
H 4.386559 -1.687206 3.360600
H -4.481935 -1.573957 -2.305490
H 2.288853 3.400529 1.641128
H 2.153066 4.314848 0.133476
H 1.828938 5.110779 1.680178
H 4.160789 -3.546271 1.596417
H 5.140193 -2.587193 0.478656
H 5.868374 -3.235314 1.957082
H -5.048412 -2.600930 2.837641
H -3.699249 -1.654031 3.237695


%chk=000277143-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277143

0 1
S -4.766888 -2.726099 0.132427
O -0.371654 2.670780 0.401250
O 3.863291 -0.759172 1.302974
O 1.061492 3.388729 -1.295427
O 3.581603 -1.618242 -0.850342
O -1.319521 -1.011157 -2.593221
N -0.960518 0.385779 -0.752788
N -3.033597 -0.745125 0.663861
N -4.575901 -1.150902 2.454604
C 0.133824 1.114607 -1.397760
C 1.486592 0.333008 -1.370903
C 1.976751 0.037023 0.058531
C 0.329382 2.506159 -0.796593
C 3.197856 -0.866674 0.074528
C -1.622732 -0.627403 -1.417672
C -2.737703 -1.233025 -0.627858
C -0.214279 3.988937 1.096363
C 5.055576 -1.643229 1.494049
C 1.021745 3.980316 1.999028
C -3.526837 -2.267816 -1.089954
C 4.632606 -3.022527 2.007517
C -4.050293 -1.393274 1.208333
H -0.122658 1.249391 -2.467026
H 2.237302 0.925839 -1.923608
H 1.337201 -0.610153 -1.923000
H 1.175645 -0.475633 0.628998
H 2.218402 0.957767 0.620146
H -1.301327 0.676000 0.169539
H -0.146959 4.778548 0.327867
H -1.149812 4.091228 1.668793
H 5.592110 -1.720512 0.531923
H 5.667681 -1.096981 2.229599
H -3.460507 -2.776049 -2.048385
H 0.982261 3.143253 2.717444
H 1.944312 3.898296 1.400417
H 1.068208 4.924779 2.572294
H 4.046032 -2.933568 2.938308
H 4.028755 -3.552781 1.252253
H 5.529962 -3.632761 2.220996
H -5.360684 -1.681009 2.820249
H -4.160821 -0.412449 3.018149


