%chk=000265023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265023

0 1
S 1.730895 -2.393618 1.667266
O 0.994326 -3.039593 2.736729
O 2.994482 -1.753767 1.959373
O 0.893288 2.864608 -3.846702
O -3.064239 1.396364 -1.459080
O 3.096331 2.560664 -3.666747
N 0.632678 -1.190988 1.053512
N -2.615898 1.458872 1.373935
N -2.816597 3.998085 2.620545
N -3.533812 4.945382 0.552748
N -3.707985 3.594109 -1.455621
N -4.120822 5.923153 -1.556216
C -0.668586 -1.040647 1.764435
C -0.527732 -0.117255 2.988989
C -1.888991 0.410529 3.465805
C 0.961491 -0.268857 0.029835
C 1.910612 -3.467234 0.341026
C -2.328912 1.617485 2.683560
C 2.315606 0.011667 -0.270686
C -0.059371 0.348148 -0.733325
C 2.984459 -3.325541 -0.547778
C 0.983168 -4.499172 0.148359
C 2.629504 0.848334 -1.334216
C 0.264346 1.179170 -1.795211
C 2.188146 -5.227788 -1.827002
C -2.427170 2.906415 3.301904
C 3.124444 -4.196947 -1.625882
C 1.117085 -5.375019 -0.927805
C 1.613128 1.431768 -2.112835
C -2.982657 2.550106 0.657752
C -3.101877 3.821907 1.284530
C 2.334648 -6.147140 -2.991331
C -3.235942 2.404555 -0.826945
C 1.994573 2.294669 -3.232486
C -3.802437 4.758211 -0.837682
H -1.440577 -0.644582 1.056044
H -1.025501 -2.047342 2.084924
H -0.036352 -0.673258 3.815233
H 0.149618 0.728810 2.754859
H -2.659800 -0.388716 3.382503
H -1.833367 0.650717 4.547503
H 3.127370 -0.371859 0.356481
H -1.117079 0.167833 -0.499188
H 3.723143 -2.529635 -0.394884
H 0.151133 -4.627005 0.849942
H 3.675817 1.067650 -1.570258
H -0.531242 1.637679 -2.396023
H -2.184798 3.049905 4.363899
H 3.958482 -4.077181 -2.315853
H 0.389892 -6.172299 -1.071375
H 3.357876 -6.542951 -3.074884
H 1.659429 -7.012422 -2.945454
H 2.117906 -5.621994 -3.935725
H -3.519291 5.863335 1.001423
H -4.368195 5.770447 -2.535645
H -4.689811 6.626582 -1.105178
H 1.152365 3.442350 -4.611198


%chk=000265023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265023

0 1
S 1.526206 -2.507234 1.673620
O 0.395231 -3.114444 2.676717
O 3.020143 -2.212204 2.262764
O 2.323795 2.878504 -3.943474
O -2.372347 2.165004 -1.410343
O 4.369510 1.812185 -3.684926
N 0.665595 -1.014099 0.921094
N -2.228588 2.025724 1.452575
N -4.052064 3.654722 2.912154
N -4.966374 4.411582 0.869098
N -4.159877 3.672242 -1.283769
N -5.924090 5.189430 -1.149114
C -0.450653 -0.498901 1.737220
C -0.039851 0.650769 2.686444
C -1.215441 1.160934 3.552276
C 1.321267 -0.244621 -0.073316
C 1.711177 -3.628069 0.169940
C -2.217326 2.035381 2.817098
C 2.697268 -0.433738 -0.403739
C 0.560260 0.723166 -0.802948
C 3.002845 -4.054599 -0.172897
C 0.551508 -4.044919 -0.500331
C 3.275199 0.287835 -1.459235
C 1.155089 1.438240 -1.853468
C 1.994768 -5.374776 -1.996987
C -3.137072 2.864584 3.531435
C 3.131968 -4.935456 -1.267915
C 0.709615 -4.922358 -1.595409
C 2.515359 1.226197 -2.204877
C -3.132679 2.812140 0.802170
C -4.041240 3.617078 1.548642
C 2.155282 -6.292323 -3.194666
C -3.173211 2.840773 -0.707688
C 3.176779 1.953790 -3.306181
C -4.984858 4.396715 -0.531368
H -1.243869 -0.156324 1.050429
H -0.849388 -1.349886 2.320594
H 0.759447 0.286726 3.359677
H 0.375088 1.486991 2.094606
H -1.749904 0.292259 3.993280
H -0.820089 1.733807 4.413570
H 3.325933 -1.093920 0.199304
H -0.490897 0.921242 -0.574629
H 3.869349 -3.712067 0.402002
H -0.438056 -3.696192 -0.189940
H 4.331863 0.149292 -1.711300
H 0.553592 2.160219 -2.412794
H -3.132325 2.893209 4.626239
H 4.129333 -5.283247 -1.560318
H -0.177329 -5.257522 -2.144573
H 2.911512 -7.075043 -3.006774
H 1.205777 -6.788184 -3.458192
H 2.489749 -5.721834 -4.082360
H -5.598715 4.981657 1.438206
H -5.923339 5.176058 -2.167134
H -6.592236 5.770564 -0.649554
H 2.838510 3.319641 -4.671041


