%chk=000267106.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267106

0 1
S 3.327034 -1.719459 0.397027
O 3.320632 -2.141882 1.776775
O 4.402254 -2.089682 -0.496852
O 0.446957 -0.822178 -1.946660
N -2.205127 -0.032153 -1.330587
N 1.935311 -2.489130 -0.377262
N 0.717011 -1.919332 0.048157
C -3.421306 0.221259 -0.699474
C -3.370698 -0.375131 0.609715
C -1.395344 -0.776208 -0.442135
C -2.088578 -0.994116 0.746392
C 3.049457 -0.025315 0.316153
C -0.044979 -1.167791 -0.880694
C -4.565658 0.919420 -1.158443
C -4.494957 -0.259145 1.460922
C 2.554587 0.657093 1.434523
C 3.329200 0.680814 -0.860277
C 2.609451 2.742604 0.197083
C -5.636135 1.006929 -0.295943
C -5.602851 0.422219 1.006065
C 2.332404 2.031957 1.378890
C 3.110923 2.056510 -0.923125
C 2.359091 4.211337 0.128323
H -1.914972 0.254876 -2.250621
H -1.741262 -1.517810 1.615597
H -4.585039 1.360602 -2.149744
H -4.465754 -0.706992 2.452361
H 1.991473 -2.600696 -1.412885
H 2.346510 0.108730 2.361196
H 3.726158 0.155846 -1.736489
H 0.238314 -2.535251 0.723467
H 1.945437 2.554841 2.251335
H 3.327199 2.597194 -1.842766
H -6.541462 1.533202 -0.600482
H -6.482596 0.526862 1.639053
H 1.330993 4.413909 -0.212031
H 2.476803 4.705478 1.103028
H 3.034619 4.722189 -0.572290


%chk=000267106-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267106

0 1
S 2.329229 -0.913784 0.634990
O 0.938428 -0.630246 1.476503
O 3.494246 -1.867539 1.275581
O -0.407274 0.345665 -1.447929
N -3.063117 0.189918 -0.493631
N 1.345071 -1.821098 -1.215106
N 0.037621 -1.852172 -0.825639
C -4.286780 -0.148001 0.073961
C -4.165597 -1.495702 0.587492
C -2.172709 -0.885412 -0.359711
C -2.827662 -1.939430 0.304563
C 3.148857 0.749938 0.243527
C -0.823905 -0.723261 -0.888748
C -5.485067 0.594297 0.186735
C -5.284367 -2.098114 1.229836
C 2.355885 1.804890 -0.236957
C 4.532644 0.854824 0.458909
C 4.394252 3.199115 -0.299293
C -6.572054 -0.030174 0.825227
C -6.473998 -1.361252 1.341889
C 2.997524 3.035404 -0.502633
C 5.146679 2.096972 0.186737
C 5.073885 4.518565 -0.617652
H -2.795611 1.070086 -0.934413
H -2.402577 -2.905710 0.574887
H -5.568812 1.613837 -0.203599
H -5.215892 -3.115380 1.629662
H 1.438193 -0.955729 -1.809696
H 1.279721 1.675965 -0.400566
H 5.095102 -0.003117 0.841920
H -0.236848 -2.683588 -0.297852
H 2.402875 3.877945 -0.874221
H 6.223706 2.210309 0.356621
H -7.516712 0.514410 0.931552
H -7.346292 -1.805358 1.833044
H 5.425963 4.536822 -1.667369
H 4.385843 5.371760 -0.487547
H 5.954649 4.685945 0.026228


