%chk=000298632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298632

0 1
O -4.518166 0.732303 -0.446501
O -2.721431 -1.460075 -1.297317
N -1.043112 -0.565748 -0.040603
C 3.675281 -0.924109 -0.961646
C 2.393396 -1.542443 -0.459282
C 4.060518 0.316496 -0.134890
C -0.121658 -1.661094 -0.480781
C 1.203992 -1.116212 -0.911157
C 3.162084 1.483344 -0.410550
C 2.562495 -2.637649 0.545305
C 2.557547 2.236477 0.521119
C -2.376433 -0.559926 -0.539544
C -0.563042 0.422399 0.827978
C -3.212174 0.555163 -0.054481
C -1.380574 1.430835 1.256799
C -2.734909 1.503114 0.810013
C 1.676852 3.386601 0.134820
C 2.698088 2.017683 1.996061
C -5.121872 -0.281581 -1.293642
H 3.579839 -0.648918 -2.032101
H 4.501588 -1.661534 -0.925885
H 5.105904 0.605591 -0.375100
H 4.062835 0.056723 0.945000
H -0.606284 -2.208056 -1.333845
H -0.028472 -2.395916 0.354417
H 1.141979 -0.310870 -1.646363
H 3.023093 1.697406 -1.470520
H 2.914629 -3.560527 0.062126
H 1.625478 -2.884455 1.066028
H 3.300112 -2.371224 1.314209
H 0.489111 0.343933 1.129460
H -1.016291 2.190591 1.943350
H -3.379121 2.311376 1.154624
H 0.615249 3.108915 0.220233
H 1.837306 3.714275 -0.900306
H 1.840280 4.261065 0.777091
H 3.068205 1.010150 2.234821
H 3.411611 2.734935 2.426271
H 1.745619 2.152974 2.523547
H -4.589762 -0.342772 -2.249081
H -6.136763 0.112550 -1.412675
H -5.114627 -1.252790 -0.789402


%chk=000298632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298632

0 1
O -4.815772 0.450601 -1.086845
O -2.945845 -1.790326 -1.477800
N -1.258762 -0.517873 -0.432986
C 3.501863 -0.850961 -1.172094
C 2.236566 -1.382877 -0.507714
C 4.208774 0.279941 -0.355961
C -0.321832 -1.679342 -0.624694
C 1.029810 -1.240396 -1.130238
C 3.308800 1.477250 -0.123802
C 2.436602 -2.035676 0.848243
C 3.079104 2.151704 1.040609
C -2.605809 -0.700514 -0.895632
C -0.798703 0.650969 0.153475
C -3.492046 0.444786 -0.642698
C -1.651012 1.726353 0.352079
C -3.018521 1.612246 -0.045244
C 2.137110 3.346513 1.075415
C 3.717236 1.814393 2.377824
C -5.629932 -0.782415 -0.962114
H 3.256213 -0.462267 -2.179055
H 4.229432 -1.677373 -1.313370
H 5.103326 0.593108 -0.934546
H 4.589403 -0.127898 0.597812
H -0.836208 -2.339498 -1.346676
H -0.254417 -2.228076 0.331453
H 1.007173 -0.748885 -2.114009
H 2.785206 1.833120 -1.026256
H 3.191446 -2.843186 0.780643
H 1.513896 -2.472485 1.262156
H 2.818917 -1.301560 1.583798
H 0.262703 0.672280 0.415329
H -1.270851 2.641651 0.810768
H -3.722352 2.437778 0.100486
H 1.315044 3.184514 1.802492
H 1.689724 3.546944 0.086251
H 2.667978 4.262200 1.403980
H 4.375801 0.931341 2.336020
H 4.323688 2.666902 2.743474
H 2.941411 1.629179 3.147348
H -5.136116 -1.626500 -1.467168
H -6.587638 -0.526846 -1.440033
H -5.793013 -1.019820 0.106881


