%chk=000217534.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217534

0 1
S -5.152617 -2.511763 -0.289409
N -2.039300 0.112959 -0.133510
C 1.005470 0.500891 -0.146690
C 1.296882 -0.740831 0.720624
C -0.004120 1.461360 0.539801
C 2.289243 -1.689923 0.016482
C 2.332518 1.232648 -0.444469
C 3.604128 -0.952092 -0.306524
C 3.334277 0.305163 -1.142791
C -0.351836 2.650651 -0.382493
C -1.295674 0.743836 1.001193
C 2.562185 -2.923487 0.885154
C -0.889966 3.850274 0.393581
C -3.013147 -0.917074 0.349650
C -3.861466 -1.357762 -0.840752
H 0.566931 0.162060 -1.117020
H 0.363155 -1.287278 0.943090
H 1.707034 -0.427919 1.698634
H 0.483670 1.863325 1.463462
H 1.831330 -2.029618 -0.945101
H 2.769685 1.616550 0.496456
H 2.137712 2.123437 -1.075354
H 4.293398 -1.625925 -0.846753
H 4.121001 -0.675321 0.631487
H 4.281976 0.845961 -1.324479
H 2.951353 0.019130 -2.141152
H -1.099050 2.330913 -1.137555
H 0.545773 2.958771 -0.957856
H -1.046464 0.022496 1.809711
H -1.982284 1.497252 1.453408
H 1.641183 -3.476199 1.096972
H 3.251380 -3.615171 0.388757
H 3.009828 -2.652508 1.847530
H -1.125733 4.680616 -0.281813
H -1.813225 3.598652 0.929853
H -0.167427 4.218611 1.129354
H -1.374799 -0.320194 -0.785957
H -3.661715 -0.448401 1.126563
H -2.520971 -1.789402 0.832311
H -3.252905 -1.802862 -1.647274
H -4.379749 -0.484087 -1.293461
H -4.394063 -3.595940 -0.029860


%chk=000217534-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217534

0 1
S -5.555700 -2.153227 -0.287177
N -1.933988 -0.068099 -0.017052
C 1.107934 0.523874 -0.170164
C 1.366007 -0.802488 0.596395
C 0.022960 1.437359 0.501004
C 2.435926 -1.695971 -0.084803
C 2.458657 1.278213 -0.325072
C 3.761151 -0.915224 -0.259620
C 3.540089 0.414793 -1.014823
C -0.448408 2.568610 -0.458694
C -1.196482 0.647834 1.051083
C 2.648733 -3.009440 0.698283
C -1.161587 3.740350 0.252527
C -3.142430 -0.787619 0.434126
C -3.960409 -1.254078 -0.781179
H 0.753768 0.264277 -1.194557
H 0.431139 -1.389058 0.699356
H 1.702397 -0.565088 1.629044
H 0.503445 1.910912 1.387162
H 2.061986 -1.951633 -1.101599
H 2.815125 1.566804 0.687309
H 2.317349 2.217131 -0.892402
H 4.501731 -1.543428 -0.793578
H 4.186135 -0.702364 0.744642
H 4.489994 0.980517 -1.081004
H 3.225028 0.197135 -2.056662
H -1.130345 2.119805 -1.206702
H 0.420164 2.972249 -1.012859
H -0.858530 -0.036965 1.867097
H -1.902772 1.358554 1.521967
H 1.707174 -3.583537 0.790475
H 3.393564 -3.658141 0.199944
H 3.016326 -2.799659 1.721575
H -1.439637 4.530552 -0.469187
H -2.090976 3.412190 0.752618
H -0.507618 4.198383 1.019421
H -1.308316 -0.682524 -0.556844
H -3.757487 -0.092569 1.035713
H -2.918611 -1.665497 1.093544
H -3.373462 -1.922277 -1.435579
H -4.293785 -0.388230 -1.374781
H -4.932638 -3.200625 0.374852


