%chk=000258421.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258421

0 1
O 0.984499 -2.655612 -0.917784
O -5.920030 1.845300 -0.771012
O 6.738707 -1.028275 0.802612
O 4.780042 -2.091644 0.811915
N 2.565164 -0.599556 0.207206
N -7.390869 -0.211110 0.420431
C -1.682270 -0.416973 0.233588
C 1.140257 -0.484430 0.192102
C -3.158412 -0.372787 0.259243
C 0.373987 -1.515591 -0.407974
C -1.021785 -1.486187 -0.390143
C -0.931126 0.607112 0.834470
C 0.463474 0.571562 0.824290
C 3.452458 0.427832 -0.074351
C -3.837129 0.762116 -0.215775
C -3.890503 -1.462574 0.756253
C -5.228131 0.780394 -0.191131
C -5.984339 -0.312179 0.315252
C -5.285319 -1.440143 0.784411
C 4.852819 0.226479 0.121694
C 3.008158 1.685421 -0.581448
C 5.747959 1.288741 -0.148313
C 3.914113 2.695339 -0.837803
C 5.295167 2.508841 -0.614463
C 5.374194 -1.047423 0.594147
C 1.596555 -2.481481 -2.223061
C -6.145630 2.951664 0.142756
H -1.578787 -2.296593 -0.860647
H -1.444089 1.430447 1.331868
H 1.031306 1.357484 1.325444
H 2.931440 -1.551729 0.423234
H -3.293103 1.614248 -0.621099
H -3.361678 -2.340110 1.131926
H -5.832073 -2.292284 1.182521
H 1.950927 1.839397 -0.789046
H 6.817401 1.119786 0.020621
H 3.563478 3.654553 -1.224917
H 5.989517 3.319752 -0.815148
H -7.806566 0.479455 -0.199298
H -7.892824 -1.088208 0.393527
H 0.823516 -2.262049 -2.964248
H 2.045026 -3.468253 -2.393748
H 2.361066 -1.701178 -2.196994
H -5.189392 3.381082 0.452232
H -6.728427 2.616461 1.005775
H -6.713377 3.653476 -0.477949
H 7.071728 -1.910070 1.124934


%chk=000258421-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258421

0 1
O 1.073525 -2.664836 -0.754934
O -6.290259 1.816412 0.086281
O 6.664146 -1.140809 0.851589
O 4.570459 -2.089245 0.597642
N 2.515582 -0.445894 0.050643
N -7.531667 -0.510181 0.470998
C -1.782891 -0.427206 0.200150
C 1.102894 -0.351908 0.067220
C -3.266453 -0.466489 0.270021
C 0.364960 -1.505949 -0.339825
C -1.035886 -1.542457 -0.272913
C -1.043385 0.715930 0.617560
C 0.362986 0.754431 0.562583
C 3.456780 0.567604 -0.093075
C -4.036019 0.729313 0.143460
C -3.968047 -1.684503 0.465377
C -5.436873 0.695535 0.211817
C -6.143384 -0.535166 0.410911
C -5.375349 -1.720529 0.535867
C 4.858416 0.297967 0.160768
C 3.104156 1.884424 -0.531158
C 5.818270 1.341469 0.021998
C 4.075825 2.885433 -0.671396
C 5.443378 2.630831 -0.379276
C 5.298867 -1.048428 0.540338
C 1.526342 -2.629576 -2.162227
C -5.663832 3.120817 -0.114765
H -1.538974 -2.450662 -0.619994
H -1.573433 1.572301 1.049039
H 0.889603 1.623875 0.966164
H 2.910763 -1.394573 0.197384
H -3.521752 1.676372 -0.046927
H -3.408873 -2.616176 0.602669
H -5.889379 -2.674771 0.702250
H 2.067550 2.099744 -0.799226
H 6.864406 1.102538 0.231835
H 3.769157 3.877377 -1.023211
H 6.191828 3.422186 -0.482123
H -8.010941 0.380717 0.373256
H -8.066361 -1.362695 0.600923
H 0.655821 -2.609974 -2.845982
H 2.103828 -3.554377 -2.311091
H 2.169394 -1.749308 -2.354086
H -5.083659 3.146039 -1.057944
H -5.001285 3.381734 0.733660
H -6.494384 3.840196 -0.171736
H 6.861247 -2.087034 1.085587


