%chk=000273054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273054

0 1
S 4.765586 2.371854 -0.055375
S -6.741931 -2.006506 -0.497098
P 5.061429 0.467915 0.138266
P -5.387199 -0.630012 -0.373687
N 5.960990 -0.279036 -1.181692
N 5.992243 0.045188 1.576944
N -5.340990 0.468289 -1.752482
N -5.552036 0.445674 1.017639
N 3.607751 -0.518876 0.216811
N -3.778574 -1.315666 -0.262239
C 7.421095 -0.589579 -1.063606
C 6.946030 0.521527 -1.972722
C 5.854927 0.865353 2.819618
C 5.334697 -0.554604 2.780144
C -6.597024 0.784743 -2.499653
C -5.908243 1.851740 -1.678200
C -6.264813 -0.036229 2.241433
C -4.771268 0.199040 2.271100
C 2.363301 0.153243 -0.272953
C -2.654155 -0.393888 -0.611239
C 1.176621 -0.797006 -0.030959
C -1.334324 -1.063153 -0.187862
C -0.142995 -0.131959 -0.441339
H 7.711851 -1.560782 -1.480696
H 7.989479 -0.369093 -0.152855
H 7.162560 1.572478 -1.744552
H 6.888565 0.365383 -3.056929
H 5.169870 1.719315 2.885851
H 6.805492 1.094695 3.316833
H 5.902977 -1.366126 3.249460
H 4.258540 -0.759010 2.812349
H -7.572651 0.380985 -2.202878
H -6.489372 0.768640 -3.591281
H -5.296068 2.618144 -2.167689
H -6.367204 2.243782 -0.763706
H -6.950906 0.696468 2.683162
H -6.680146 -1.049705 2.316770
H -4.072767 -0.640575 2.364001
H -4.362351 1.103665 2.735837
H 3.711521 -1.456771 -0.226920
H -3.670459 -2.236400 -0.736295
H 2.202372 1.099718 0.299044
H 2.406635 0.433506 -1.350654
H -2.620129 -0.141993 -1.697296
H -2.775636 0.570029 -0.064309
H 1.143625 -1.086077 1.038977
H 1.316853 -1.740568 -0.592539
H -1.196429 -2.016026 -0.734712
H -1.384637 -1.340745 0.884387
H -0.277483 0.815012 0.118690
H -0.105720 0.153396 -1.511502


%chk=000273054-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273054

0 1
S 4.304202 2.290028 0.216611
S -6.549421 -1.706313 0.569997
P 4.751886 0.236358 0.228638
P -4.957593 -0.475273 -0.034538
N 6.391170 -0.292012 -0.275086
N 4.683595 -0.587190 1.833468
N -5.350166 1.014989 -0.957558
N -3.954220 0.279488 1.257845
N 3.768305 -0.705115 -0.814763
N -3.833155 -1.276020 -1.048367
C 7.583161 0.530804 0.176292
C 7.125457 0.586329 -1.269053
C 5.041412 0.227708 3.065478
C 3.594872 -0.128100 2.785964
C -6.536829 0.946538 -1.898422
C -6.636100 1.742208 -0.611108
C -4.662552 0.788967 2.500392
C -3.834933 -0.479363 2.566236
C 2.505196 -0.261934 -1.426045
C -2.609010 -0.659717 -1.599485
C 1.245297 -0.870020 -0.767362
C -1.318932 -1.068652 -0.853242
C -0.054507 -0.446475 -1.487786
H 8.454481 -0.066258 0.460038
H 7.392157 1.423896 0.786028
H 6.625828 1.507831 -1.596682
H 7.664102 0.027548 -2.039480
H 5.321454 1.279338 2.915573
H 5.615047 -0.326883 3.813716
H 3.111008 -0.944071 3.330547
H 2.942522 0.693461 2.459628
H -7.099595 0.004478 -1.942328
H -6.375172 1.458064 -2.851498
H -6.550677 2.832473 -0.623795
H -7.266980 1.312368 0.178787
H -4.265028 1.732921 2.884297
H -5.752103 0.663279 2.557516
H -4.387952 -1.424057 2.657297
H -2.831212 -0.460521 3.000567
H 4.050171 -1.680929 -0.933855
H -3.975595 -2.280415 -1.163336
H 2.474619 0.842428 -1.355228
H 2.523807 -0.517944 -2.504923
H -2.530589 -0.934073 -2.671476
H -2.737480 0.436588 -1.555648
H 1.207273 -0.555411 0.294774
H 1.326091 -1.976848 -0.768732
H -1.226817 -2.174735 -0.852152
H -1.412063 -0.749065 0.202349
H -0.140896 0.659560 -1.471421
H 0.005962 -0.740859 -2.557274


