%chk=000262485.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262485

0 1
S 2.117072 1.480874 -0.513897
O 3.135099 2.433173 -0.116399
O 1.398315 1.677661 -1.753837
O -3.828554 -2.520606 -0.215062
O -4.131090 -2.330740 2.017076
N 0.971153 1.504119 0.797785
C 1.060888 2.634053 1.768998
C 0.013354 3.728836 1.515102
C -0.186871 0.687799 0.827636
C 2.742824 -0.115853 -0.450090
C 0.277695 4.518412 0.226883
C -0.704924 0.125997 -0.361626
C -0.806986 0.386860 2.065902
C 3.715533 -0.447845 0.501338
C 2.301347 -1.087484 -1.358241
C -1.784211 -0.748496 -0.303822
C -1.884315 -0.487175 2.109968
C -2.375647 -1.073241 0.928302
C 3.784336 -2.719992 -0.345948
C 4.233790 -1.740964 0.557482
C 2.814795 -2.381498 -1.308234
C -0.632584 5.705649 0.110760
C 4.322859 -4.109002 -0.293210
C -3.513806 -2.001985 1.026478
C -1.257491 6.046117 -1.014679
C -4.969893 -3.430280 -0.300990
C -6.260038 -2.636613 -0.289012
H 0.940674 2.231836 2.801728
H 2.091462 3.067326 1.719570
H 0.004594 4.415722 2.385243
H -1.002828 3.285720 1.473259
H 1.333166 4.869188 0.196209
H 0.170459 3.849821 -0.655401
H -0.311342 0.416098 -1.341306
H -0.431416 0.830201 2.986250
H 4.080289 0.311340 1.201847
H 1.552752 -0.829221 -2.117103
H -2.189052 -1.183687 -1.223303
H -2.360628 -0.732027 3.064975
H 4.988504 -1.990316 1.301413
H 2.464704 -3.132622 -2.014647
H -0.739858 6.295252 1.022946
H 4.735182 -4.420434 -1.265238
H 5.123816 -4.234348 0.448168
H 3.532739 -4.832102 -0.035709
H -1.896864 6.911812 -1.099112
H -1.178708 5.489045 -1.937549
H -4.908605 -4.153125 0.532303
H -4.769367 -3.923814 -1.268973
H -7.125697 -3.271688 -0.507781
H -6.240969 -1.825293 -1.027864
H -6.429156 -2.173163 0.695113


%chk=000262485-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262485

0 1
S 2.270901 1.539649 -0.523586
O 3.462392 2.526144 -0.020460
O 1.585046 1.792836 -1.980913
O -3.844398 -2.490750 -0.165076
O -4.241136 -2.050849 2.096622
N 1.040183 1.592516 0.899514
C 1.191961 2.757572 1.798187
C 0.118285 3.851932 1.605016
C -0.108027 0.768552 0.874986
C 2.870483 -0.245350 -0.466968
C 0.161507 4.508222 0.199574
C -0.546159 0.083632 -0.298143
C -0.848634 0.588083 2.086642
C 3.604297 -0.662719 0.654424
C 2.624323 -1.059415 -1.582057
C -1.657205 -0.774682 -0.247842
C -1.958997 -0.266890 2.119932
C -2.376809 -0.968342 0.958636
C 3.854206 -2.864068 -0.433401
C 4.090481 -1.987589 0.660314
C 3.125812 -2.379137 -1.551495
C -0.813964 5.660150 0.079924
C 4.356000 -4.295165 -0.397977
C -3.559313 -1.858829 1.055492
C -1.813772 5.750679 -0.832658
C -5.044005 -3.378418 -0.182071
C -6.312803 -2.570875 -0.473101
H 1.195080 2.387734 2.842674
H 2.199649 3.174687 1.608907
H 0.291597 4.625506 2.381245
H -0.891306 3.438230 1.788221
H 1.193358 4.874069 0.011934
H -0.051842 3.753098 -0.580465
H -0.055899 0.269252 -1.257439
H -0.542010 1.106471 2.999093
H 3.797788 0.017344 1.489664
H 2.075828 -0.668451 -2.444838
H -1.990901 -1.288766 -1.153418
H -2.522055 -0.411136 3.048255
H 4.664091 -2.343217 1.523640
H 2.949041 -3.038033 -2.408996
H -0.679287 6.478990 0.806080
H 4.577700 -4.673262 -1.410827
H 5.269900 -4.390629 0.213230
H 3.593349 -4.965517 0.043375
H -2.486049 6.615785 -0.866135
H -1.985003 4.960716 -1.574553
H -5.114255 -3.894759 0.791469
H -4.821648 -4.102044 -0.983098
H -7.177374 -3.254016 -0.569349
H -6.212132 -2.005523 -1.415732
H -6.521774 -1.864122 0.347252


