%chk=000218561.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218561

0 1
O -3.053695 2.377709 -1.220906
O -5.462885 -0.886332 0.992383
N 1.589911 0.089487 0.816012
N -0.504437 1.010059 -0.115100
N -3.173267 -1.007118 1.179984
N -0.671681 -0.883592 1.193728
N -4.258368 0.752861 -0.116743
C 0.193245 0.034211 0.603110
C -1.877628 0.711651 0.028855
C -1.944605 -0.448480 0.844024
C 2.412489 0.533840 -0.356036
C 2.178387 -1.065304 1.564962
C -3.023531 1.391689 -0.512753
C 2.301044 2.024405 -0.569099
C 2.576054 -2.236151 0.698524
C -4.383619 -0.405726 0.700694
C -3.241081 -2.216243 2.035190
C -5.541074 1.343103 -0.590155
C 2.103223 2.523384 -1.865509
C 1.600546 -3.115429 0.208239
C 2.420149 2.912384 0.509502
C 3.927190 -2.454561 0.390869
C 2.025116 3.902506 -2.077511
C 1.973949 -4.198050 -0.592510
C 2.337358 4.290256 0.291869
C 4.296346 -3.540681 -0.407614
C 2.140245 4.787338 -1.000437
C 3.320838 -4.411953 -0.902769
H 2.149903 -0.032555 -1.279389
H 3.483232 0.286732 -0.148327
H 1.452464 -1.397888 2.350695
H 3.055279 -0.654681 2.119456
H -0.149087 1.813159 -0.613527
H -4.297278 -2.474296 2.245151
H -2.718892 -2.036717 2.991890
H -2.758592 -3.070393 1.528791
H -5.336072 2.227835 -1.222640
H -6.162059 1.653167 0.267766
H -6.109690 0.604623 -1.180992
H 2.014788 1.843172 -2.711341
H 0.548033 -2.955405 0.457063
H 2.566651 2.523693 1.518091
H 4.694186 -1.786653 0.778040
H 1.870633 4.288200 -3.084912
H 1.212823 -4.878108 -0.972823
H 2.425551 4.978100 1.132298
H 5.346044 -3.709398 -0.642514
H 2.074380 5.861464 -1.167884
H 3.609683 -5.256912 -1.525292


%chk=000218561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218561

0 1
O -3.167823 2.164508 -1.605536
O -5.513758 -0.728779 1.306174
N 1.501410 -0.079601 0.405592
N -0.589743 0.854217 -0.441754
N -3.168682 -0.846856 1.323787
N -0.701566 -0.786475 1.151815
N -4.327802 0.698881 -0.127094
C 0.126471 -0.011702 0.376002
C -1.956952 0.640640 -0.168921
C -1.976872 -0.363188 0.808424
C 2.300451 0.571125 -0.650791
C 2.153057 -1.068226 1.305055
C -3.125358 1.253047 -0.718940
C 2.235205 2.101558 -0.646796
C 2.619655 -2.333337 0.588142
C -4.402234 -0.316801 0.861003
C -3.170165 -1.903213 2.351913
C -5.627409 1.234043 -0.590101
C 2.238251 2.809822 -1.874094
C 1.670432 -3.242040 0.049737
C 2.210701 2.829746 0.569136
C 4.000254 -2.616553 0.445149
C 2.229499 4.223966 -1.888210
C 2.098876 -4.406505 -0.622835
C 2.199461 4.241326 0.556800
C 4.431516 -3.784800 -0.225998
C 2.211273 4.943249 -0.672023
C 3.480903 -4.681268 -0.763871
H 2.006327 0.190537 -1.651752
H 3.345986 0.247123 -0.494982
H 1.409293 -1.316229 2.080632
H 3.013883 -0.571347 1.791515
H -0.220099 1.597290 -1.035266
H -4.218813 -2.115506 2.606235
H -2.622117 -1.562925 3.246813
H -2.680907 -2.812906 1.964116
H -5.409444 2.006735 -1.342212
H -6.185116 1.664414 0.257951
H -6.236804 0.426954 -1.029225
H 2.250714 2.256100 -2.821825
H 0.601653 -3.030761 0.171789
H 2.183522 2.285855 1.520629
H 4.742244 -1.926889 0.868649
H 2.227237 4.759873 -2.843576
H 1.358879 -5.103868 -1.031490
H 2.175750 4.794526 1.502217
H 5.502280 -3.994599 -0.327120
H 2.196908 6.038485 -0.680620
H 3.811772 -5.587244 -1.283843


