%chk=000242658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242658

0 1
S 1.806023 0.504066 1.931366
N -3.078500 0.357317 0.999460
N -1.280479 1.529502 1.837882
N -1.870304 -1.694509 0.235282
N 0.563373 -1.552196 0.723943
N -0.371283 -3.395673 -0.437879
N 5.060043 0.568110 0.596200
C -4.456450 0.078404 0.554762
C -4.762054 0.790132 -0.772261
C -6.209086 0.530589 -1.209937
C -1.958994 -0.446724 0.793703
C -0.835864 0.296458 1.335525
C -2.598623 1.558788 1.625751
C -6.527251 1.233986 -2.526651
C 0.426289 -0.330728 1.270760
C -0.583007 -2.183449 0.208594
C 3.219438 -0.599106 1.663512
C 3.920080 -0.160310 0.419106
C 3.429367 -0.489875 -0.860799
C 4.127914 -0.040101 -1.981665
C 5.726015 0.996026 -0.507122
C 5.293356 0.715172 -1.812692
H -4.574929 -1.027283 0.438054
H -5.162002 0.401932 1.353033
H -4.059342 0.439796 -1.556531
H -4.580926 1.878524 -0.678696
H -6.381157 -0.559104 -1.319587
H -6.912185 0.873280 -0.425224
H -3.271174 2.363149 1.888162
H -7.560983 1.042942 -2.837736
H -6.405130 2.320530 -2.447522
H -5.873932 0.890440 -3.337720
H 2.911308 -1.665539 1.607290
H 3.873164 -0.506174 2.562046
H -1.174731 -3.974683 -0.638824
H 0.501121 -3.877523 -0.275043
H 2.516751 -1.077662 -0.964700
H 3.766660 -0.275510 -2.982647
H 6.633748 1.581135 -0.319835
H 5.852236 1.078272 -2.670160


%chk=000242658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242658

0 1
S 1.826404 0.602190 2.039547
N -3.133323 0.514193 1.137074
N -1.347692 1.608194 2.095958
N -1.951278 -1.413903 0.142370
N 0.469731 -1.331378 0.591362
N -0.490961 -3.083734 -0.630654
N 5.271128 0.190899 0.635713
C -4.510394 0.224629 0.700174
C -4.800110 0.698508 -0.742177
C -6.250026 0.377698 -1.168267
C -2.005715 -0.249957 0.840561
C -0.905681 0.439549 1.445880
C -2.673705 1.616760 1.886356
C -6.557885 0.837789 -2.609510
C 0.364500 -0.172521 1.288746
C -0.672684 -1.903673 0.057968
C 3.178499 -0.663875 1.574214
C 3.993837 -0.235701 0.378880
C 3.459013 -0.284508 -0.936353
C 4.266621 0.121775 -2.018752
C 6.039040 0.581120 -0.424079
C 5.585380 0.566965 -1.761951
H -4.660171 -0.868229 0.771182
H -5.202601 0.710398 1.413004
H -4.088369 0.203729 -1.430245
H -4.618967 1.789184 -0.815931
H -6.423319 -0.714486 -1.083485
H -6.958671 0.862858 -0.465858
H -3.356270 2.381716 2.251865
H -7.597175 0.594926 -2.896448
H -6.424736 1.930726 -2.714922
H -5.882845 0.346105 -3.334639
H 2.630555 -1.602452 1.389487
H 3.819609 -0.736198 2.464320
H -1.298619 -3.552584 -1.030312
H 0.438785 -3.488514 -0.686307
H 2.430296 -0.629929 -1.080782
H 3.877713 0.094184 -3.042528
H 7.053769 0.915578 -0.178189
H 6.244819 0.894371 -2.572074


