%chk=000274608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274608

0 1
S -3.478522 0.373640 -1.573230
N 0.610152 -0.177969 1.476777
N -0.577317 0.445234 1.426419
C 3.908327 0.026617 0.035629
C 3.188312 0.953998 -0.855953
C 2.985282 -0.467202 1.014291
C 1.823003 1.029322 -0.423199
C 1.641965 0.132614 0.755374
C 5.230217 -0.382275 0.050309
C 3.625280 1.688808 -1.943405
C 3.392934 -1.354260 1.993399
C 0.918740 1.842582 -1.080336
C -1.651734 -0.004566 0.839912
C -2.896726 0.768896 1.086489
C -1.751717 -1.163128 -0.082023
C -3.795790 1.001901 0.036684
C -2.545200 -1.076409 -1.234253
C 5.640230 -1.289436 1.049062
C 2.695562 2.512551 -2.611484
C 4.742086 -1.764720 2.001075
C 1.371755 2.588896 -2.188899
C -3.184897 1.294368 2.356989
C -1.055913 -2.357020 0.168639
C -4.956615 1.753523 0.224768
C -2.620415 -2.124854 -2.152600
C -4.345381 2.046712 2.554108
C -1.129976 -3.415127 -0.740392
C -5.226137 2.280758 1.491505
C -1.899540 -3.296520 -1.903796
H 5.941627 -0.016336 -0.685736
H 4.657518 1.639238 -2.280234
H 2.692162 -1.723780 2.741567
H -0.120137 1.918516 -0.759399
H 6.678769 -1.618175 1.071095
H 3.026489 3.096194 -3.470062
H 5.079080 -2.462397 2.766579
H 0.667270 3.231773 -2.715662
H -2.491405 1.121560 3.183100
H -0.455792 -2.460718 1.075763
H -5.650038 1.926443 -0.598797
H -3.236537 -2.040713 -3.048425
H -4.563313 2.455489 3.540227
H -0.582878 -4.336414 -0.542787
H -6.127560 2.871193 1.651766
H -1.944618 -4.122007 -2.613555


%chk=000274608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000274608

0 1
S -4.606588 -0.648738 -1.110052
N 0.536612 -0.399139 1.039034
N -0.621465 0.286578 0.906890
C 4.006068 0.170686 0.153366
C 3.361672 1.267565 -0.601791
C 2.984425 -0.549356 0.852595
C 1.945108 1.207250 -0.371938
C 1.676710 0.073235 0.543996
C 5.354358 -0.216704 0.272821
C 3.903752 2.269067 -1.427639
C 3.301126 -1.650317 1.669942
C 1.075625 2.146484 -0.962698
C -1.791984 -0.181543 0.467968
C -2.939146 0.727130 0.756862
C -1.987117 -1.468008 -0.254621
C -4.211531 0.617644 0.133259
C -3.187871 -1.778529 -0.964930
C 5.674278 -1.326796 1.094778
C 3.027489 3.214672 -2.019545
C 4.659341 -2.035390 1.787497
C 1.630921 3.157312 -1.786974
C -2.767411 1.779512 1.706786
C -0.965518 -2.468858 -0.251251
C -5.260701 1.523102 0.433101
C -3.346145 -3.013112 -1.641052
C -3.801078 2.678593 2.010986
C -1.125845 -3.700051 -0.907987
C -5.058710 2.554303 1.367318
C -2.320024 -3.974822 -1.616303
H 6.147807 0.324674 -0.254277
H 4.981958 2.326914 -1.613111
H 2.512626 -2.188904 2.205225
H -0.002363 2.098295 -0.786311
H 6.718735 -1.641572 1.198462
H 3.434889 3.999920 -2.666299
H 4.931000 -2.887816 2.419867
H 0.973304 3.898762 -2.253571
H -1.788568 1.866604 2.186489
H -0.038266 -2.260770 0.288422
H -6.231232 1.409596 -0.062368
H -4.279465 -3.218211 -2.177030
H -3.634872 3.473168 2.745792
H -0.318740 -4.439088 -0.878148
H -5.873309 3.249291 1.596934
H -2.451255 -4.925833 -2.143196


