%chk=000281678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281678

0 1
O 6.144544 1.286532 -1.011678
O 0.098875 -1.751297 1.596020
O -3.600420 1.940898 1.468468
O -3.416416 -1.652760 -1.930787
O -5.062733 -0.039155 -0.090940
N 2.407384 -1.785365 1.686169
C 2.938850 -0.105215 0.170846
C 1.468146 -0.201675 0.218917
C 3.480681 -1.077599 1.070732
C 1.150575 -1.302335 1.213429
C 0.580760 0.526442 -0.464933
C -0.887101 0.381160 -0.373110
C 3.778467 0.721127 -0.559550
C 4.853129 -1.231354 1.247306
C 5.164613 0.554761 -0.371224
C 5.703189 -0.399706 0.512483
C -1.537522 -0.561401 -1.168248
C -1.606456 1.239130 0.470457
C -2.998167 1.104093 0.550136
C -2.939409 -0.697527 -1.077274
C -3.682458 0.116218 -0.194937
C 5.724428 2.303657 -1.950822
C -4.800189 2.631480 1.024411
C -4.848081 -1.884834 -1.994290
C -5.452114 -0.693025 1.154688
H 0.912034 1.307763 -1.160792
H 2.530089 -2.521394 2.362065
H 3.378314 1.460596 -1.243824
H 5.259361 -1.971481 1.932191
H 6.785121 -0.478114 0.612701
H -0.988710 -1.220335 -1.838342
H -1.107860 1.988891 1.079957
H 6.689264 2.704185 -2.290334
H 5.175582 1.852461 -2.782180
H 5.139645 3.075033 -1.441953
H -4.507088 3.414519 0.319487
H -5.178845 3.055778 1.960542
H -5.520655 1.940888 0.570766
H -5.176430 -2.383232 -1.078509
H -5.386908 -0.941905 -2.140933
H -4.927210 -2.542782 -2.867233
H -6.542028 -0.722707 1.071697
H -5.126122 -0.090930 2.009833
H -5.020331 -1.696188 1.200193


%chk=000281678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281678

0 1
O 5.861525 2.004248 -0.039442
O 0.570010 -3.138801 -0.173891
O -3.635051 2.569953 0.185989
O -3.745409 -2.379213 0.149250
O -5.165851 0.112185 0.254927
N 2.891840 -2.742752 -0.212623
C 3.017146 -0.449047 -0.096820
C 1.585895 -0.819222 -0.080076
C 3.784158 -1.646253 -0.177401
C 1.547095 -2.331469 -0.155976
C 0.556543 0.101884 -0.015918
C -0.902410 0.016717 0.016129
C 3.668740 0.803738 -0.047748
C 5.189815 -1.626977 -0.210398
C 5.085612 0.829089 -0.081327
C 5.837135 -0.373820 -0.161774
C -1.662889 -1.190152 0.000713
C -1.602772 1.263415 0.052432
C -3.003788 1.305575 0.098414
C -3.070115 -1.149603 0.058717
C -3.759579 0.097118 0.140689
C 5.148374 3.277903 0.045760
C -4.530724 2.896141 -0.948533
C -4.798422 -2.637382 -0.857038
C -5.661361 0.629687 1.557309
H 0.907875 1.146103 0.017033
H 3.151991 -3.726304 -0.267568
H 3.090070 1.730167 0.016046
H 5.777268 -2.548749 -0.271857
H 6.928341 -0.300134 -0.184248
H -1.158172 -2.160660 -0.039312
H -1.059884 2.214983 0.042483
H 5.933692 4.047781 0.067219
H 4.496797 3.436922 -0.836456
H 4.541252 3.341108 0.970664
H -3.948245 2.952054 -1.887735
H -4.953914 3.883932 -0.710740
H -5.334148 2.144514 -1.047793
H -5.589968 -1.870928 -0.807074
H -4.353984 -2.667426 -1.870693
H -5.201220 -3.628551 -0.599342
H -6.758932 0.616449 1.478377
H -5.294581 1.657293 1.728485
H -5.329956 -0.038217 2.372747


