%chk=000240316.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240316

0 1
S 0.409490 0.148396 1.255271
S 0.033013 1.626256 -1.338578
N -1.857268 0.212430 -0.126956
N 2.025369 0.557437 0.768324
C -2.835888 0.593706 -1.190053
C -2.419514 -0.711523 0.898574
C 2.492252 1.812248 1.417966
C 2.931749 -0.607725 0.942025
C -0.584972 0.647163 -0.145975
C -3.839069 1.601623 -0.661019
C -2.558746 -2.123665 0.355342
C 3.781610 2.275875 0.758062
C 2.452059 -1.793448 0.126038
C -3.320789 2.985352 -0.461545
C -1.303682 -2.772730 -0.118598
C 3.648835 2.730815 -0.655359
C 2.392737 -1.582254 -1.350074
C -5.102550 1.246155 -0.416368
C -3.749860 -2.725839 0.335337
C 4.934389 2.286276 1.431982
C 2.167478 -2.960578 0.710126
H -2.308204 1.016421 -2.084053
H -3.340301 -0.333815 -1.551177
H -1.811828 -0.732362 1.832523
H -3.413565 -0.307131 1.218477
H 2.625822 1.710941 2.518135
H 1.711497 2.599515 1.261500
H 3.084013 -0.888422 2.008818
H 3.940092 -0.295384 0.562497
H -2.481467 3.001999 0.251114
H -2.926497 3.404736 -1.400742
H -4.083992 3.678405 -0.087866
H -0.909461 -2.276055 -1.019196
H -0.500374 -2.720763 0.634973
H -1.442422 -3.831938 -0.369075
H 4.610719 2.812212 -1.172735
H 3.154927 3.711421 -0.712090
H 3.011043 2.037033 -1.234985
H 1.825047 -2.362372 -1.869580
H 3.399674 -1.557732 -1.787858
H 1.920000 -0.613565 -1.599397
H -5.488725 0.249422 -0.559881
H -5.854213 1.935759 -0.062653
H -4.667940 -2.266499 0.666345
H -3.896093 -3.737373 -0.014004
H 5.041786 1.961406 2.453414
H 5.863787 2.633168 1.007452
H 2.212328 -3.130409 1.773178
H 1.868507 -3.839290 0.160844


%chk=000240316-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240316

0 1
S 0.385981 -0.000537 1.306726
S 0.125501 1.441388 -1.475177
N -1.923409 0.187687 -0.152543
N 2.067861 0.464365 0.823549
C -2.895944 0.590176 -1.214431
C -2.520094 -0.657286 0.924818
C 2.504149 1.765753 1.430280
C 3.032870 -0.666893 1.006392
C -0.601838 0.546756 -0.224255
C -3.895988 1.632382 -0.722514
C -2.818571 -2.083530 0.460938
C 3.759406 2.310066 0.752237
C 2.779707 -1.829908 0.058255
C -3.308170 2.931931 -0.208809
C -1.654746 -2.868304 -0.110055
C 3.670105 2.568002 -0.737661
C 2.765623 -1.497096 -1.419186
C -5.233126 1.393127 -0.787036
C -4.071785 -2.594411 0.590251
C 4.871524 2.583486 1.487132
C 2.622837 -3.091816 0.539460
H -2.296897 0.994442 -2.051064
H -3.421188 -0.320465 -1.555959
H -1.831660 -0.680066 1.789032
H -3.450054 -0.162566 1.258974
H 2.679204 1.676756 2.526512
H 1.668316 2.472016 1.271180
H 3.066639 -1.027290 2.059285
H 4.025175 -0.223201 0.784607
H -2.662340 2.754560 0.672806
H -2.660017 3.397612 -0.975131
H -4.095771 3.649354 0.077118
H -1.261160 -2.384989 -1.025139
H -0.807307 -2.906296 0.600717
H -1.951229 -3.899734 -0.364550
H 4.636125 2.904549 -1.151544
H 2.903204 3.337204 -0.951887
H 3.332111 1.660780 -1.269340
H 2.544183 -2.384785 -2.036152
H 3.746977 -1.089694 -1.736309
H 2.015826 -0.710946 -1.627189
H -5.630244 0.440861 -1.159905
H -5.966308 2.150712 -0.486805
H -4.899293 -1.998921 0.995242
H -4.300501 -3.627565 0.304784
H 4.911533 2.390708 2.566294
H 5.768277 3.017640 1.029578
H 2.629942 -3.302435 1.615955
H 2.485364 -3.948281 -0.130982


