%chk=000299100.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299100

0 1
O -0.891731 0.887736 -0.237704
O 0.371368 -0.464897 -1.546456
O 0.681654 1.092343 1.648036
N -2.918635 -2.241821 -1.472766
C -3.094008 -0.161031 -0.099533
C -2.999683 0.377137 1.352754
C -4.525175 0.025688 -0.663239
C -4.330273 0.259281 2.101565
C -5.229692 1.251035 -0.073867
C -2.694892 -1.667032 -0.105127
C -5.427590 1.114240 1.445390
C -2.120971 0.633687 -1.002350
C -4.045389 -3.222570 -1.468167
C -1.680054 -2.880672 -2.005186
C 0.258733 0.243364 -0.574836
C 1.346948 0.643918 0.460234
C 2.218683 1.752951 -0.111437
C 2.181305 -0.551838 0.887963
C 2.659970 2.773481 0.741810
C 2.705595 -1.432728 -0.068381
C 2.609097 1.747109 -1.457197
C 2.451140 -0.752512 2.248965
C 3.476577 3.793056 0.246027
C 3.497026 -2.509406 0.339189
C 3.426783 2.768670 -1.947806
C 3.242535 -1.832170 2.650112
C 3.859437 3.792951 -1.099140
C 3.767544 -2.710212 1.696841
H -2.195601 -0.143985 1.904947
H -2.686885 1.440156 1.332999
H -4.496013 0.080576 -1.767947
H -5.125605 -0.880922 -0.443550
H -4.195721 0.564594 3.155848
H -4.649266 -0.800153 2.131104
H -6.207897 1.395128 -0.568907
H -4.642808 2.163280 -0.292864
H -3.274505 -2.197342 0.678426
H -1.630966 -1.752529 0.204417
H -5.445945 2.120403 1.903748
H -6.415961 0.666433 1.658137
H -1.878680 0.099848 -1.939775
H -2.471791 1.656808 -1.216469
H -4.957302 -2.720177 -1.104087
H -4.241184 -3.541540 -2.504455
H -3.875186 -4.121974 -0.859117
H -0.874120 -2.121797 -2.052054
H -1.863852 -3.212967 -3.038495
H -1.311417 -3.738303 -1.425862
H -0.009194 1.768511 1.427763
H 2.367191 2.760413 1.793873
H 2.486594 -1.287381 -1.129346
H 2.280139 0.948224 -2.125914
H 2.035834 -0.064932 2.989991
H 3.817638 4.585615 0.910099
H 3.903276 -3.192921 -0.404455
H 3.728071 2.764299 -2.994356
H 3.450238 -1.987181 3.707309
H 4.496058 4.587494 -1.484777
H 4.385860 -3.549237 2.010677


%chk=000299100-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299100

0 1
O -0.855269 0.533660 -0.063918
O 0.544407 -0.282504 -1.743109
O 0.918400 0.618895 1.781467
N -2.844425 -2.564260 -0.655289
C -3.241108 -0.118915 -0.004365
C -3.384508 0.799905 1.258126
C -4.546182 -0.042225 -0.866984
C -4.855501 0.926075 1.714882
C -5.198598 1.357810 -0.799524
C -2.960029 -1.586722 0.457341
C -5.709903 1.660444 0.641147
C -2.085741 0.350489 -0.905513
C -3.970417 -3.513136 -0.756703
C -1.535525 -3.248717 -0.730715
C 0.379844 0.175216 -0.593261
C 1.504594 0.470988 0.445506
C 2.233750 1.782424 0.041862
C 2.471974 -0.732555 0.505669
C 2.820446 2.551901 1.078024
C 3.406468 -0.964609 -0.532470
C 2.366720 2.214508 -1.301064
C 2.406269 -1.632424 1.596402
C 3.527085 3.735366 0.776198
C 4.264574 -2.084342 -0.479575
C 3.071401 3.403718 -1.599518
C 3.270481 -2.749475 1.649751
C 3.655091 4.167730 -0.564812
C 4.200992 -2.981546 0.611859
H -2.755957 0.400055 2.077693
H -2.992300 1.811880 1.032751
H -4.323131 -0.336426 -1.910119
H -5.274205 -0.786085 -0.488666
H -4.912229 1.464338 2.679946
H -5.268064 -0.085548 1.899930
H -6.033043 1.426856 -1.522738
H -4.461388 2.126049 -1.107330
H -3.768121 -1.888967 1.159290
H -2.020478 -1.585136 1.047251
H -5.682107 2.752353 0.821741
H -6.768635 1.351487 0.738563
H -1.869078 -0.395597 -1.689526
H -2.289573 1.335431 -1.362805
H -4.929396 -2.969656 -0.797689
H -3.877602 -4.100127 -1.688803
H -4.018757 -4.235013 0.098171
H -0.716580 -2.511832 -0.775695
H -1.487013 -3.849525 -1.657159
H -1.341495 -3.933003 0.133034
H 0.028087 1.044486 1.665583
H 2.706704 2.213696 2.112238
H 3.468717 -0.274787 -1.379180
H 1.923529 1.631629 -2.115847
H 1.690247 -1.435054 2.397972
H 3.977848 4.319994 1.586279
H 4.983516 -2.254483 -1.288852
H 3.163150 3.729828 -2.641765
H 3.216856 -3.436054 2.502511
H 4.202035 5.088056 -0.798750
H 4.870472 -3.848344 0.653156


